Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6151019

Cl.Cn1cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.38
AR P10275 8/20 0.50
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1662655 0.98 AR (0.51) ARTDP1TP53TSHRMEN1
Hydrochloric Acid SCHEMBL27492354 0.86 AR (0.43) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL6180353 0.84 AR (0.44) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL2387448 0.84 AR (0.44) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL12438322 0.84 MAPK1 (0.44) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL5750827 0.82 AR (0.40) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL2114774 0.82 AR (0.51) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL2399432 0.82 ALDH1A1 (0.43) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL6205236 0.81 AR (0.39) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL27520536 0.81 AR (0.39) ARTSHRMEN1KMT2AALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906199-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-06-14 US disclosed
CN-1190418-C Process for preparing distamycin derivatives PHARMACIA ITALIA SPA (IT) 2005-02-23 CN disclosed
EP-1347958-B1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA SPA (IT) 2005-01-19 EP disclosed
US-20040077550-A1 Process for preparing distamycin derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-04-22 US disclosed
CN-1476431-A Process for preparing distamycin derivatives 2004-02-18 CN disclosed
EP-1347958-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-10-01 EP disclosed
WO-2002044147-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-06-06 WO disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
CN-1061050-C Ureido derivatives of naphthalenephosphonic acids and process for their preparation PHARMACIA & UPJOHN SPA (IT) 2001-01-24 CN disclosed
EP-0696287-B1 UREIDO DERIVATIVES OF NAPHTHALENEPHOSPHONIC ACIDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 2000-03-08 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
US-5700788-A Ureido derivatives of naphthalenephosphonic acids PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-23 US disclosed
CN-1124027-A Ureido derivatives of naphthalenephosphonic acids and process for their preparation PHARMACIA SPA (IT) 1996-06-05 CN disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
EP-0696287-A1 UREIDO DERIVATIVES OF NAPHTHALENEPHOSPHONIC ACIDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-02-14 EP disclosed
WO-1995023806-A2 UREIDO DERIVATIVES OF NAPHTHALENEPHOSPHONIC ACIDS AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1995-09-08 WO disclosed
US-4942227-A ANTITUMOR AGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1990-07-17 US disclosed
US-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 US disclosed
US-4665184-A BREAKING STRANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1987-05-12 US 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 (1 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-20040077550-A1 Process for preparing distamycin derivatives MRPL21, RPN1, HSP90B1 CA2 3949/4885AR 2865/4885TDP1 3429/4885

“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.