Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18838680

Cc1ncc(CCl)c(C)c1OCc1ccccc1.Cl

nearest known ligand 0.42

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
▸ HTR1D known ✓ P28221 1/20 0.41
▸ HTR1B known ✓ P28222 1/20 0.41
▸ GAA known ✓ P10253 1/20 0.38
▸ BCHE known ✓ P06276 1/20 0.38
▸ MAPK14 known ✓ Q16539 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ STAT3 P40763 1/20 0.38

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
SCHEMBL5664859 0.84 L3MBTL1 (0.44) L3MBTL1MAPTMAPK1TDP1HTR1D
SCHEMBL18838674 0.80 ATP4A (0.50) L3MBTL1MAPTMAPK1TDP1HTR1D
SCHEMBL10247270 0.80 PTPN1 (0.49) L3MBTL1MAPTMAPK1TDP1HTR1D
SCHEMBL20502645 0.77 HPGD (0.49) L3MBTL1MAPTMAPK1TDP1TSHR
Hydrochloric Acid SCHEMBL11012693 0.75 L3MBTL1 (0.38) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL3797317 0.74 HSP90AB1 (0.45) MAPK1TSHRMEN1ALDH1A1KMT2A
SCHEMBL4049346 0.73 CCNB2 (0.43) L3MBTL1MAPTMAPK1TDP1HTT
SCHEMBL11014397 0.73 L3MBTL1 (0.38) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL15132077 0.71 L3MBTL1 (0.42) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL24968079 0.71 L3MBTL1 (0.63) L3MBTL1MAPTMAPK1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544140-B2 Pharmaceutical composition containing, as active ingredient, 7-azaindolin-2-one derivative or pharmaceutically acceptable salt thereof LG CHEM, LTD. (KR) 2020-01-28 — — US disclosed
US-20180370964-A1 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENT, 7-AZAINDOLIN-2-ONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF LG CHEM, LTD. (KR) 2018-12-27 — — US disclosed
EP-3363799-A1 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENT, 7-AZAINDOLIN-2-ONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF LG Chem, Ltd. (KR) 2018-08-22 — — EP disclosed
WO-2017082569-A1 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENT, 7-AZAINDOLIN-2-ONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 영남대학교 산학협력단 2017-05-18 — — 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-20180370964-A1 PHARMACEUTICAL COMPOSITION CONTAINING, AS ACTIVE INGREDIENT, 7-AZAINDOLIN-2-ONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF HDAC6, AZI2, HDAC7 HTR1D 3759/4885HTR1B 3630/4885GAA 1574/4885
US-10544140-B2 Pharmaceutical composition containing, as active ingredient, 7-azaindolin-2-one derivative or pharmaceutically acceptable salt thereof AZI2, HDAC7, CYP3A7 HTR1D 1800/4885HTR1B 2235/4885GAA 983/4885

“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.

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