Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4165069

COc1ccc2nc(C(C)Oc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1.Cl

nearest known ligand 0.53

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 9)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 13/20 0.53
CA2 known ✓ P00918 1/20 0.47
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
FFAR1 O14842 5/20 0.48
PPARA Q07869 4/20 0.45
CYP3A4 P08684 1/20 0.43
RXRA P19793 1/20 0.43

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 SCHEMBL6064786 1.00 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL1130792 0.99 PPARG (0.54) PPARGMPC2CYP2C8CYP2C9FFAR1
Hydrochloric Acid SCHEMBL6544486 0.95 PPARG (0.48) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6543635 0.94 PPARG (0.49) PPARGMPC2CYP2C8CYP2C9FFAR1
Hydrochloric Acid SCHEMBL4177074 0.93 PPARG (0.51) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6896704 0.92 PPARG (0.51) PPARGMPC2CYP2C8CYP2C9FFAR1
Hydrochloric Acid SCHEMBL6701459 0.91 PPARG (0.47) PPARGFFAR1PPARACYP3A4RXRA
Hydrochloric Acid SCHEMBL7248266 0.90 FFAR1 (0.48) PPARGFFAR1PPARACYP3A4RXRA
Hydrochloric Acid SCHEMBL6544449 0.89 PPARG (0.46) PPARGFFAR1PPARA
SCHEMBL7243299 0.89 FFAR1 (0.49) PPARGFFAR1PPARACYP3A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088462-A1 Pharmaceutical Composition for Enhancing Adiponectin Production DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-02 US claimed
EP-1990053-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ADIPONECTIN PRODUCTION Daiichi Sankyo Company, Limited (JP) 2008-11-12 EP claimed
US-20070287685-A1 Medicinal composition containing FBPase inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-12-13 US claimed
EP-1180519-B1 HYDROCHLORIDE OF FUSED-HETEROCYCLE COMPOUND SANKYO CO (JP) 2005-05-04 EP claimed
US-20020111373-A1 Hydrochloride salt of a fused heterocyclic compound SANKYO COMPANY, LIMITED (JP) 2002-08-15 US claimed
US-20090088462-A1 Pharmaceutical Composition for Enhancing Adiponectin Production DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-02 US disclosed
EP-1990053-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ADIPONECTIN PRODUCTION Daiichi Sankyo Company, Limited (JP) 2008-11-12 EP disclosed
EP-1905450-A1 PHARMACEUTICAL COMPOSITION CONTAINING PPAR GAMMA AGONIST Daiichi Sankyo Company, Limited (JP) 2008-04-02 EP disclosed
US-20070287685-A1 Medicinal composition containing FBPase inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-12-13 US disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20070049515-A1 Therapeutic agent for diabetes containing insulin resistance improving agent SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-01-09 US disclosed
US-20020137776-A1 Therapeutic and prophylactic agents for neoplasms SANKYO COMPANY, LIMITED (JP) 2002-09-26 US disclosed
US-20020111373-A1 Hydrochloride salt of a fused heterocyclic compound SANKYO COMPANY, LIMITED (JP) 2002-08-15 US disclosed
EP-1197211-A1 PREVENTIVE AND THERAPEUTIC AGENTS FOR CANCER Sankyo Company, Limited (JP) 2002-04-17 EP disclosed
EP-1191019-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZIMIDAZOLE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Sankyo Company, Limited (JP) 2002-03-27 EP disclosed
EP-1180519-A1 HYDROCHLORIDE OF FUSED-HETEROCYCLE COMPOUND Sankyo Company, Limited (JP) 2002-02-20 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
JP-2001039976-A HYDROCHLORIDE OF CONDENSED HETEROCYCLIC COMPOUND SANKYO CO LTD 2001-02-13 JP 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 (5 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-20020137776-A1 Therapeutic and prophylactic agents for neoplasms VHL, TP53, BRCA1 PPARG 1300/4885CA2 126/4885MPC2 2705/4885
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK PPARG 1269/4885CA2 40/4885MPC2 837/4885
US-20070049515-A1 Therapeutic agent for diabetes containing insulin resistance improving agent GPR119, IAPP, INSR PPARG 82/4885CA2 2151/4885MPC2 311/4885
US-20090088462-A1 Pharmaceutical Composition for Enhancing Adiponectin Production ADIPOR1, ADIPOR2, FABP4 PPARG 37/4885CA2 4235/4885MPC2 1615/4885
US-20020111373-A1 Hydrochloride salt of a fused heterocyclic compound SLC5A1, SLC5A2, SLC2A8 PPARG 1242/4885CA2 940/4885MPC2 983/4885

“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.