Hydrochloric Acid

Hydrochloric Acid

SCHEMBL26667394

CN(C)c1ccc2cc(C(=O)NC(CCCNC(=N)CF)c3ncc(-c4cccc(F)c4)o3)ccc2c1.Cl

nearest known ligand 0.37

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
▸ PDE4A known ✓ P27815 2/20 0.37
▸ PDE4B known ✓ Q07343 2/20 0.37
▸ PDE4C known ✓ Q08493 2/20 0.37
▸ PDE4D known ✓ Q08499 2/20 0.37
▸ HDAC3 known ✓ O15379 2/20 0.36
▸ HDAC4 known ✓ P56524 2/20 0.36
▸ HDAC1 known ✓ Q13547 2/20 0.36
▸ HDAC7 known ✓ Q8WUI4 2/20 0.36
▸ HDAC2 known ✓ Q92769 2/20 0.36
▸ HDAC10 known ✓ Q969S8 2/20 0.36
▸ HDAC11 known ✓ Q96DB2 2/20 0.36
▸ HDAC8 known ✓ Q9BY41 2/20 0.36
▸ HDAC6 known ✓ Q9UBN7 2/20 0.36
▸ HDAC9 known ✓ Q9UKV0 2/20 0.36
▸ HDAC5 known ✓ Q9UQL6 2/20 0.36
▸ ROCK2 known ✓ O75116 3/20 0.33
▸ ROCK1 known ✓ Q13464 3/20 0.33
▸ DRD2 known ✓ P14416 1/20 0.32
▸ DRD1 known ✓ P21728 1/20 0.32
▸ DRD4 known ✓ P21917 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
Hydrochloric Acid SCHEMBL29717129 1.00 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24302411 0.99 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29717165 0.99 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26667444 0.99 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29717153 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301580 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301582 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26902789 0.88 HDAC1 (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301584 0.88 UTS2R (0.38) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26667458 0.88 UTS2R (0.38) PDE4APDE4BPDE4CPDE4DPADI6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — 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 (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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 PDE4A 56/4885PDE4B 66/4885PDE4C 102/4885

“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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