Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1461390

Cl.Cl.Cl.O=c1cc(CN2CCNCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.85

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
ADRB2 known ✓ P07550 1/20 0.41
RAC1 P63000 3/20 0.85
RAC2 P15153 1/20 0.83
RAC3 P60763 1/20 0.83
NCF1 P14598 1/20 0.41
HIF1A Q16665 1/20 0.35
APLNR P35414 2/20 0.34
LDHA P00338 6/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4499457 0.99 RAC1 (0.84) RAC1RAC2RAC3ADRB2NCF1
Hydrochloric Acid SCHEMBL29383079 0.92 RAC1 (1.00) RAC1RAC2RAC3APLNRLDHA
Hydrochloric Acid SCHEMBL384979 0.92 RAC1 (1.00) RAC1RAC2RAC3APLNRLDHA
SCHEMBL1460422 0.92 RAC1 (0.87) RAC1RAC2RAC3ADRB2NCF1
Hydrochloric Acid SCHEMBL1461295 0.91 RAC1 (0.85) RAC1RAC2RAC3APLNRLDHA
SCHEMBL1461351 0.91 RAC1 (1.00) RAC1RAC2RAC3APLNRLDHA
SCHEMBL30798860 0.91 RAC1 (1.00) RAC1RAC2RAC3APLNRLDHA
SCHEMBL1461829 0.90 RAC1 (0.84) RAC1RAC2RAC3APLNRLDHA
SCHEMBL1461794 0.90 RAC1 (0.84) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL20678106 0.90 RAC1 (0.81) RAC1RAC2RAC3ADRB2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4648894-B2 2011-03-09 JP claimed
US-20090093471-A1 Methods of Treating Nervous Disorders EXONHIT THERAPEUTICS SA (FR) 2009-04-09 US claimed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US claimed
US-20070027146-A1 Methods of treating nervous disorders EXONHIT THERAPEUTICS SA (FR) 2007-02-01 US claimed
JP-2006519221-A 2006-08-24 JP claimed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US claimed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP claimed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP claimed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO claimed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090093471-A1 Methods of Treating Nervous Disorders EXONHIT THERAPEUTICS SA (FR) 2009-04-09 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-20070027146-A1 Methods of treating nervous disorders EXONHIT THERAPEUTICS SA (FR) 2007-02-01 US disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO 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-20070027146-A1 Methods of treating nervous disorders RAC1, GAP43, RAC2 ADRB2 1500/4885RAC1 1/4885RAC2 3/4885
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 ADRB2 4356/4885RAC1 789/4885RAC2 1544/4885
US-20090093471-A1 Methods of Treating Nervous Disorders RAC1, IAPP, RAC2 ADRB2 1134/4885RAC1 1/4885RAC2 3/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 ADRB2 4356/4885RAC1 789/4885RAC2 1544/4885

“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.