Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4846563

Cc1onc(-c2ccccc2)c1C(=O)O.Cl

nearest known ligand 0.73

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
GAA known ✓ P10253 1/20 0.73
PTGS1 known ✓ P23219 1/20 0.56
PTGS2 known ✓ P35354 1/20 0.56
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
TSHR P16473 4/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 2/20 0.61
MAPK1 P28482 2/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 2/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.57

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
SCHEMBL316093 0.98 KMT2A (0.76) KMT2AMEN1GAATSHRHTT
SCHEMBL27722453 0.88 KMT2A (0.76) KMT2AMEN1GAATSHRHTT
Hydrochloric Acid SCHEMBL30684542 0.87 KMT2A (0.97) KMT2AMEN1GAATSHRHTT
Hydrochloric Acid SCHEMBL30684473 0.87 KMT2A (0.97) KMT2AMEN1GAATSHRHTT
SCHEMBL1574735 0.86 KMT2A (0.73) KMT2AMEN1GAATSHRHTT
SCHEMBL3862966 0.86 KMT2A (0.59) KMT2AMEN1GAATSHRHTT
Hydrochloric Acid SCHEMBL3981907 0.85 GPBAR1 (0.57) KMT2AMEN1GAATSHRHTT
SCHEMBL6069148 0.85 SMN1; SMN2 (0.62) KMT2AMEN1GAATSHRHTT
SCHEMBL903110 0.85 KMT2A (1.00) KMT2AMEN1GAATSHRHTT
SCHEMBL7769050 0.85 KMT2A (0.58) KMT2AMEN1GAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-1968977-B1 Aryl-isoxazol-4-yl-imidazo[1,5-a]pyridine derivatives HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
EP-1968977-A1 ARYL-ISOXAZOL-4-YL-IMIDAZOÝ1, 5-A¨PYRIDINE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-09-17 EP disclosed
US-7399769-B2 Aryl-isoxazol-4-yl-imidazo[1,5-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-07-15 US disclosed
US-20070191421-A1 Aryl-isoxazol-4-yl-imidazo[1,5-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 US disclosed
WO-2007074089-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1, 5-A]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO disclosed
WO-2002081474-A1 TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 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 (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-20070191421-A1 Aryl-isoxazol-4-yl-imidazo[1,5-a]pyridine derivatives GABRA5, GABRA4, GABRA1 GAA 1369/4885PTGS1 2708/4885PTGS2 3597/4885

“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.