Hydrochloric Acid

Hydrochloric Acid

SCHEMBL749696

Cl.O=c1n(CC2CCCC2)cc(-c2ccncc2)n1-c1ccc(F)cc1

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 20)

geneUniProtsupporting neighboursconfidence
MAPK14 known ✓ Q16539 4/20 0.44
FLT3 known ✓ P36888 1/20 0.37
KCNH2 known ✓ Q12809 1/20 0.36
MET known ✓ P08581 6/20 0.36
GRIN2D known ✓ O15399 1/20 0.35
GRIN3B known ✓ O60391 1/20 0.35
DRD2 known ✓ P14416 1/20 0.35
GRIN1 known ✓ Q05586 1/20 0.35
GRIN2A known ✓ Q12879 1/20 0.35
GRIN2B known ✓ Q13224 1/20 0.35
GRIN2C known ✓ Q14957 1/20 0.35
GRIN3A known ✓ Q8TCU5 1/20 0.35
SIGMAR1 known ✓ Q99720 1/20 0.35
PDE5A known ✓ O76074 1/20 0.34
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
AXL P30530 7/20 0.38
RIPK3 Q9Y572 3/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4961478 0.99 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11AXL
SCHEMBL5820709 0.75 MAPT (0.47) MAPK14MAPK13MAPK12MAPK11AXL
SCHEMBL10273983 0.73 MET (0.43) MAPK14AXLRIPK3MET
SCHEMBL23071269 0.72 AXL (0.46) AXLMET
SCHEMBL13060307 0.71 MET (0.48) MAPK14AXLRIPK3MET
SCHEMBL10273085 0.71 MET (0.48) MAPK14AXLRIPK3MET
SCHEMBL5805633 0.71 MAPT (0.53) MAPK14MAPK13MAPK12MAPK11AXL
SCHEMBL29938094 0.70 GRIA2 (0.41) GRIN2A
SCHEMBL752399 0.70 KDM4C (0.39) MAPK14MAPK13MAPK12MAPK11FLT3
SCHEMBL23071127 0.69 AXL (0.39) AXLMET

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-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
US-20040204426-A1 4-Imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-10-14 US disclosed
EP-1439174-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-07-21 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-20040204426-A1 4-Imidazolin-2-one compounds NR3C1, NR3C2, SCN1B MAPK14 1321/4885FLT3 1538/4885KCNH2 57/4885
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS OR10J3, NR4A3, NR3C2 MAPK14 2186/4885FLT3 1755/4885KCNH2 214/4885

“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.