Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2460111

Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12.Cl

nearest known ligand 0.98

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 20)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 13/20 0.98
ROCK1 known ✓ Q13464 12/20 0.98
PRKCD known ✓ Q05655 5/20 0.98
PRKD3 known ✓ O94806 4/20 0.98
PRKCZ known ✓ Q05513 4/20 0.98
LCK known ✓ P06239 1/20 0.98
FGFR1 known ✓ P11362 1/20 0.98
FLT4 known ✓ P35916 1/20 0.98
KDR known ✓ P35968 1/20 0.98
PRKCG known ✓ P05129 3/20 0.61
PRKCB known ✓ P05771 3/20 0.61
PRKCA known ✓ P17252 3/20 0.61
PRKCH known ✓ P24723 3/20 0.61
PRKCI known ✓ P41743 3/20 0.61
PRKCE known ✓ Q02156 3/20 0.61
PRKCQ known ✓ Q04759 3/20 0.61
PRKD1 known ✓ Q15139 3/20 0.61
HTR1A known ✓ P08908 1/20 0.42
ADRA2A known ✓ P08913 1/20 0.42
ADRA2B known ✓ P18089 1/20 0.42

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 SCHEMBL507871 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL29396389 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL29781011 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2461354 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2456059 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL507872 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL30009735 1.00 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL29372951 0.99 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL30069136 0.99 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL124161 0.99 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 EP claimed
US-6153608-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2000-11-28 US claimed
EP-0885888-A1 ISOQUINOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-12-23 EP claimed
JP-11349482-A None JP disclosed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
EP-1295607-B9 ANTITUMOR EFFECT POTENTIATORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-10-05 EP disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-1295607-B1 ANTITUMOR EFFECT POTENTIATORS MITSUBISHI TANABE PHARMA CORP (JP) 2010-04-28 EP disclosed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2007-04-19 US disclosed
US-7109208-B2 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 EP disclosed
US-20030096843-A1 Preventives/remedies for kidney diseases MITSUBISHI PHARMA CORPORATION (JP) 2003-05-22 US disclosed
EP-1295607-A1 ANTITUMOR EFFECT POTENTIATORS Mitsubishi Pharma Corporation (JP) 2003-03-26 EP disclosed
EP-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed
EP-1174150-A1 PREVENTIVES/REMEDIES FOR ANGIOSTENOSIS Mitsubishi Pharma Corporation (JP) 2002-01-23 EP disclosed
EP-1163910-A1 PREVENTIVES/REMEDIES FOR INTERSTITIAL PNEUMONIA AND PULMONARY FIBROSIS Welfide Corporation (JP) 2001-12-19 EP disclosed
US-6153608-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2000-11-28 US disclosed
JP-H11349482-A MEDICAMENT HIDAKA HIROYOSHI 1999-12-21 JP disclosed
EP-0885888-A1 ISOQUINOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-12-23 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 (3 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-20030096843-A1 Preventives/remedies for kidney diseases RHOA, ROCK1, MMP1 ROCK2 6/4885ROCK1 2/4885PRKCD 412/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ROCK2 2882/4885ROCK1 2635/4885PRKCD 410/4885
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same ROCK1, CIT, ROCK2 ROCK2 3/4885ROCK1 1/4885PRKCD 503/4885

“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.