Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3454493

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

nearest known ligand 0.70

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 13)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 13/20 0.69
ESR2 known ✓ Q92731 13/20 0.69
TOP1 known ✓ P11387 2/20 0.69
HDAC1 known ✓ Q13547 2/20 0.38
HDAC2 known ✓ Q92769 2/20 0.38
HDAC8 known ✓ Q9BY41 2/20 0.38
ERBB2 known ✓ P04626 1/20 0.32
KDM4E B2RXH2 1/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
HIF1A Q16665 1/20 0.70
HRAS P01112 14/20 0.69
HPSE Q9Y251 1/20 0.32

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
Hydrochloric Acid SCHEMBL3455291 1.00 KDM4E (0.70) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL3680040 0.99 HRAS (0.70) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL3672404 0.99 HRAS (0.70) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7508683 0.91 HRAS (0.60) KDM4EPOLBMAPTHIF1AHRAS
Hydrochloric Acid SCHEMBL3454819 0.91 KDM4E (0.61) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7501055 0.91 HRAS (0.60) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7503920 0.91 HRAS (0.60) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7502387 0.91 HRAS (0.60) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7509566 0.91 HRAS (0.60) KDM4EPOLBMAPTHIF1AHRAS
SCHEMBL7508643 0.91 HRAS (0.60) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250275946-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2025-09-04 US claimed
WO-2022169634-A9 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-09-22 WO claimed
WO-2022169634-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2022-08-11 WO claimed
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-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 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
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-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
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
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-20250275946-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS (US) 2025-09-04 US disclosed
WO-2001085144-A2 USE OF SUBSTITUTED ACRYLOYL DISTAMYCIN DERIVATIVES IN THE TREATMENT OF TUMORS ASSOCIATED WITH HIGH LEVELS OF GLUTATHIONE PHARMACIA ITALIA S.P.A. (IT) 2001-11-15 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

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

For each of this compound's patents that has machine-readable text (4 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-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-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.