Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1566413

Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O.Cl

nearest known ligand 0.40

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.35
ADRB1 known ✓ P08588 1/20 0.32
ADRB3 known ✓ P13945 1/20 0.32
CRBN known ✓ Q96SW2 1/20 0.31
RXRB P28702 3/20 0.40
RXRA P19793 2/20 0.40
RARB P10826 5/20 0.36
RARA P10276 4/20 0.36
RARG P13631 4/20 0.36
CA1 P00915 1/20 0.35
RECQL P46063 1/20 0.34
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RORC P51449 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDK2 Q15119 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
SCHEMBL12274098 0.99 RXRB (0.41) RXRBRXRARARBRARARARG
SCHEMBL29397265 0.99 RXRB (0.41) RXRBRXRARARBRARARARG
SCHEMBL362701 0.99 RXRB (0.41) RXRBRXRARARBRARARARG
SCHEMBL2014009 0.99 RXRB (0.41) RXRBRXRARARBRARARARG
SCHEMBL29385555 0.99 RXRB (0.41) RXRBRXRARARBRARARARG
SCHEMBL22135784 0.94 RXRB (0.39) RXRBRXRARARBRARARARG
SCHEMBL2015664 0.92 RXRB (0.47) RXRBRXRARARBRARARARG
SCHEMBL2009917 0.92 RXRB (0.38) RXRBRXRARARBRARARARG
SCHEMBL2013786 0.92 RXRB (0.40) RXRBRXRARARBRARARARG
SCHEMBL15271560 0.91 CA1 (0.34) RXRBRXRACA1CA2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308857-B1 PROCESS FOR PRODUCTION OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-04-27 EP disclosed
US-8796464-B2 Production method of isoxazoline-substituted benzoic acid amide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-05 US disclosed
US-20130144066-A1 PRODUCTION METHOD OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-06 US disclosed
US-8389738-B2 Production method of isoxazoline-substituted benzoic acid amide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-05 US disclosed
US-20110144349-A1 PRODUCTION METHOD OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
EP-2308857-A1 PROCESS FOR PRODUCTION OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2011-04-13 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 (2 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-20110144349-A1 PRODUCTION METHOD OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND BCAT2, BCAT1, DAO CA2 46/4885ADRB1 396/4885ADRB3 630/4885
US-20130144066-A1 PRODUCTION METHOD OF ISOXAZOLINE-SUBSTITUTED BENZOIC ACID AMIDE COMPOUND BCAT2, BCAT1, DAO CA2 46/4885ADRB1 396/4885ADRB3 630/4885

“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.