Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1725630

Cl.O=C(Nc1cc(Cl)c(Cl)nc1C1CC[N+]([O-])(Cc2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.39

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 19)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 3/20 0.36
MAPK14 known ✓ Q16539 1/20 0.34
HDAC1 known ✓ Q13547 1/20 0.33
KCNQ3 known ✓ O43525 1/20 0.32
KCNQ2 known ✓ O43526 1/20 0.32
GSK3B P49841 5/20 0.39
GSK3A P49840 3/20 0.36
MCHR1 Q99705 4/20 0.36
MAPT P10636 1/20 0.35
PRSS12 P56730 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
SSTR3 P32745 1/20 0.33
WDR5 P61964 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CXCR2 P25025 1/20 0.32
RAF1 P04049 1/20 0.32

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
SCHEMBL1727490 0.99 GSK3B (0.40) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL12535737 0.88 GSK3B (0.39) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL1726708 0.87 GSK3B (0.39) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL1725514 0.85 GSK3B (0.43) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL1726317 0.84 MCHR1 (0.48) GSK3BMCHR1HTR2CCSNK1DCSNK1E
SCHEMBL12153528 0.83 GSK3B (0.42) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL12153456 0.79 GSK3B (0.39) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL12535751 0.79 GSK3B (0.40) GSK3BGSK3AMCHR1HTR2CMAPT
SCHEMBL4442622 0.78 HDAC4 (0.34) GSK3BGSK3AMCHR1MAPTMAPK14
SCHEMBL4402605 0.78 KCNJ6 (0.38) GSK3BGSK3AMCHR1MAPTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2018-07-31 US disclosed
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-07 US disclosed
US-9808006-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 US disclosed
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-28 US disclosed
US-8518971-B2 Insecticidal phenyl- or pyridyl-piperdine compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-08-27 US disclosed
WO-2012037282-A3 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-05-10 WO disclosed
EP-2324010-B1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-30 EP disclosed
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-06-09 US 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-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds ACHE, CHRM1, CHRM2 HTR2C 2395/4885MAPK14 4149/4885HDAC1 356/4885
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 HTR2C 2395/4885MAPK14 4149/4885HDAC1 356/4885
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 HTR2C 2429/4885MAPK14 4045/4885HDAC1 382/4885
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 HTR2C 2395/4885MAPK14 4149/4885HDAC1 356/4885

“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.