Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5508930

CCc1ccccc1OC(N)CC.Cl

nearest known ligand 0.44

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 18)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.43
ADRA2B known ✓ P18089 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
GAA known ✓ P10253 1/20 0.37
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 2/20 0.39
HPGD P15428 1/20 0.39
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6688654 0.80 HTR1A (0.51)
SCHEMBL7413393 0.77 CA12 (0.52) L3MBTL1ADRA2BIDO1ALDH1A1SLC6A2
SCHEMBL10092811 0.77 ADRA2A (0.49) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL22307794 0.77 ADRA2A (0.49) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL10552288 0.77 SCN4A (0.47) ADRA2BALDH1A1SLC6A2SLC6A4KDM4E
SCHEMBL5412735 0.76 ADRA2A (0.51) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL2021874 0.76 TSHR (0.47) MAPTNPSR1ATMHPGDIDO1
SCHEMBL28470780 0.76 ALDH1A1 (0.46) L3MBTL1MAPTNPSR1HPGDALDH1A1
SCHEMBL11705985 0.76 ALDH1A1 (0.42) L3MBTL1MAPTADRA2AADRA2BADRA2C
SCHEMBL11253519 0.76 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ADRA2AADRA2B

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
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US disclosed
WO-1998033765-A1 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 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 (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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 ADRA2A 3587/4885ADRA2B 3344/4885ADRA2C 1459/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 ADRA2A 3945/4885ADRA2B 3722/4885ADRA2C 2077/4885

“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.