Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9066315

Cl.c1cncc(N2CCNCC2)c1

nearest known ligand 0.96

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 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 known ✓ P36544 2/20 0.58
ADRB2 known ✓ P07550 1/20 0.58
HTR3E known ✓ A5X5Y0 1/20 0.57
HTR3B known ✓ O95264 1/20 0.57
ADRB1 known ✓ P08588 1/20 0.57
HTR3A known ✓ P46098 1/20 0.57
HTR3D known ✓ Q70Z44 1/20 0.57
HTR3C known ✓ Q8WXA8 1/20 0.57
SIGMAR1 known ✓ Q99720 1/20 0.57
CHRNB4 known ✓ P30926 1/20 0.53
CHRNA3 known ✓ P32297 1/20 0.53
CHRNB2 P17787 7/20 0.84
CHRNA4 P43681 7/20 0.84
NCF1 P14598 1/20 0.58
PLD1 Q13393 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL5335 0.98 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ADRB2NCF1
SCHEMBL3538787 0.98 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ADRB2NCF1
SCHEMBL29507540 0.98 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ADRB2NCF1
SCHEMBL3061045 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ADRB2NCF1
SCHEMBL6350076 0.90 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA7ADRB2NCF1
SCHEMBL3065598 0.89 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL5171064 0.87 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL5655866 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Fumaric Acid SCHEMBL27454231 0.85 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL28210749 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7ADRB2NCF1

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-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-12-08 US disclosed
EP-4031249-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS Ideaya Biosciences, Inc. (US) 2022-07-27 EP disclosed
CN-114555593-A 4-substituted indole and indazole sulfonamide derivatives as PARG inhibitors 伊迪亚生物科学有限公司 2022-05-27 CN disclosed
CN-101528736-A Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO KG (DE) 2009-09-09 CN disclosed
US-5561140-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530119-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 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 (1 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-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS PARG, PARP11, PARN CHRNA7 3969/4885ADRB2 2414/4885HTR3E 95/4885

“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.