Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3454064

C=C(Cl)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1.Cl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 13/20 0.55
ESR2 known ✓ Q92731 13/20 0.55
TOP1 known ✓ P11387 2/20 0.55
HDAC1 known ✓ Q13547 1/20 0.35
HDAC2 known ✓ Q92769 1/20 0.35
HDAC8 known ✓ Q9BY41 1/20 0.35
P2RY12 known ✓ Q9H244 1/20 0.32
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
HIF1A Q16665 1/20 0.57
HRAS P01112 14/20 0.55
PKM P14618 1/20 0.36
HPSE Q9Y251 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3677086 0.99 HRAS (0.56) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL7201931 0.91 KDM4E (0.48) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL5445158 0.89 KDM4E (0.57) KDM4EPOLBMAPTHIF1AHRAS
Brostallicin SCHEMBL2230670 0.89 KDM4E (0.57) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL6781584 0.89 HRAS (0.49) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL6780457 0.89 HRAS (0.49) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL6782691 0.88 HRAS (0.48) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL6781737 0.88 HRAS (0.48) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7127024 0.88 HRAS (0.56) KDM4EPOLBMAPTHIF1AHRAS
Brostallicin SCHEMBL3678233 0.88 HRAS (0.56) KDM4EPOLBMAPTHIF1AHRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889624-B1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES SRL (IT) 2010-12-15 EP claimed
US-7642229-B2 Pharmaceutical composition and a product which includes a substituted acryloyl distamycin derivative, an antimicrotubule agent and/or an antimetabolite NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-05 US claimed
EP-1299110-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIMETABOLITES NERVIANO MEDICAL SCIENCES SRL (IT) 2008-11-26 EP claimed
EP-1889624-A2 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-02-20 EP claimed
EP-1868599-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2007-12-26 EP claimed
EP-1303307-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2007-05-16 EP claimed
WO-2006108763-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-10-19 WO claimed
US-20060084612-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and protein kinase (serine/threonine kinase) inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-04-20 US claimed
EP-1292290-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2006-04-19 EP claimed
EP-1461083-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2006-03-29 EP claimed
EP-1461083-A1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-09-29 EP claimed
US-20040092453-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-05-13 US claimed
US-20030180383-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-09-25 US claimed
US-20030162722-A1 Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-08-28 US claimed
WO-2003055522-A1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2003-07-10 WO claimed
EP-1303307-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS Pharmacia Italia S.p.A. (IT) 2003-04-23 EP claimed
EP-1292290-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS Pharmacia Italia S.p.A. (IT) 2003-03-19 EP claimed
WO-2001097790-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
WO-2001097789-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
US-8642580-B2 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and platinum derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-04 US disclosed
EP-1889624-B1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES SRL (IT) 2010-12-15 EP disclosed
US-7642229-B2 Pharmaceutical composition and a product which includes a substituted acryloyl distamycin derivative, an antimicrotubule agent and/or an antimetabolite NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-05 US disclosed
EP-1868599-B1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES SRL (IT) 2009-11-11 EP disclosed
US-20090074757-A1 Antitumor Combination Comprising Substituted Acryloyl Distamycin Derivatives and Antibodies Inhibiting Growth Factors or Their Receptors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-03-19 US disclosed
US-7399748-B2 Intravenous administration of a alpha -halogen- acryloyl distamycin derivative for therapy of tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-07-15 US disclosed
EP-1889624-A2 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-02-20 EP disclosed
EP-1868599-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2007-12-26 EP disclosed
US-20070249651-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and topoisomerase I and II inhibitors NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2007-10-25 US disclosed
EP-1303307-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2007-05-16 EP disclosed
WO-2006108763-A1 ANTITUMOR COMBINATION COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ANTIBODIES INHIBITING GROWTH FACTORS OR THEIR RECEPTORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-10-19 WO disclosed
EP-1345604-B1 USE OF A ALPHA-HALOGEN-ACRYLOYL DISTAMYCIN DERIVATE FOR THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2006-09-13 EP disclosed
US-7030089-B2 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione PHARMACIA ITALIA S.P.A. (IT) 2006-04-18 US disclosed
EP-1461083-B1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2006-03-29 EP disclosed
EP-1461083-A1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-09-29 EP disclosed
US-20040092453-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-05-13 US disclosed
US-20040006023-A1 Intravenous administration of a alpha -halogen- acryloyl distamycin derivative for therapy of tumors NERVIANO MEDICAL SCIENCES S.R.I (IT) 2004-01-08 US disclosed
US-20030207794-A1 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-11-06 US disclosed
US-20030180383-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-09-25 US disclosed
US-20030162722-A1 Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2003-08-28 US disclosed
WO-2003055522-A1 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND PROTEIN KINASE (SERINE/THREONINE KINASE) INHIBITORS PHARMACIA ITALIA SPA (IT) 2003-07-10 WO disclosed
EP-1303307-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS Pharmacia Italia S.p.A. (IT) 2003-04-23 EP disclosed
EP-1299110-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES, TAXANES AND/OR ANTIMETABOLITES Pharmacia Italia S.p.A. (IT) 2003-04-09 EP disclosed
EP-1292290-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS Pharmacia Italia S.p.A. (IT) 2003-03-19 EP disclosed
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. 2003-01-30 US disclosed
US-6482920-B1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA ITALIA, S.P.A. (IT) 2002-11-19 US disclosed
WO-2001097789-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ACRYLOYL DISTAMYCIN DERIVATIVES AND TOPOISOMERASE I AND II INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed
WO-2001097790-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES AND ALKYLATING AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed
WO-2001097618-A2 COMBINED THERAPY AGAINST TUMORS COMPRISING SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES, TAXANES AND/OR ANTIMETABOLITES PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249651-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and topoisomerase I and II inhibitors TOP2B, TOP2A, TOP1 ESR1 3594/4885ESR2 1438/4885TOP1 3/4885
US-20030207794-A1 Use of substituted acryloyl distamycin derivatives in the treatment of tumors associated with high levels of glutathione GSTA1, GSTK1, GSTP1 ESR1 3956/4885ESR2 1378/4885TOP1 402/4885
US-20040092453-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives, taxanes and/or antimetabolites HDGF, TUBB1, BCOR ESR1 3539/4885ESR2 1737/4885TOP1 38/4885
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 ESR1 3985/4885ESR2 3455/4885TOP1 225/4885
US-20060084612-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and protein kinase (serine/threonine kinase) inhibitors STK4, DSTYK, MTOR ESR1 3232/4885ESR2 1839/4885TOP1 1234/4885
US-20040006023-A1 Intravenous administration of a alpha -halogen- acryloyl distamycin derivative for therapy of tumors HSPA5, PDIA5, SLC10A1 ESR1 4426/4885ESR2 4043/4885TOP1 1174/4885
US-20030162722-A1 Pharmaceutical compositions comprising acryloyl distamycin derivatives and topoisomerase I and II inhibitors TOP2A, TOP1, TOP2B ESR1 3510/4885ESR2 2241/4885TOP1 2/4885
US-20090074757-A1 Antitumor Combination Comprising Substituted Acryloyl Distamycin Derivatives and Antibodies Inhibiting Growth Factors or Their Receptors HDGF, MET, HGF ESR1 2554/4885ESR2 593/4885TOP1 1493/4885
US-20030180383-A1 Combined therapy against tumors comprising substituted acryloyl distamycin derivatives and alkylating agents GSTM2, GSTP1, GSTA1 ESR1 4231/4885ESR2 1528/4885TOP1 207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.