Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18641385

Cl.NCc1cnc(-c2ccc(OCCCO)cc2)s1

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
▸ HDAC1 known ✓ Q13547 2/20 0.36
▸ HDAC2 known ✓ Q92769 2/20 0.36
▸ HDAC6 known ✓ Q9UBN7 1/20 0.35
▸ RAB9A P51151 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ XDH P47989 2/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LOX P28300 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ XIAP P98170 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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 SCHEMBL21229058 0.87 ATP4A (0.43) —
SCHEMBL18667608 0.87 RAB9A (0.44) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL18667280 0.84 RAB9A (0.43) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL26759172 0.84 RAB9A (0.46) RAB9AMAPTLMNANPC1SMN1; SMN2
Bromide SCHEMBL18641523 0.83 RAB9A (0.42) RAB9AMAPTLMNANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL21229039 0.83 LSS (0.50) RAB9AMAPTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21229111 0.82 KDM4E (0.48) RAB9AMAPTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21229131 0.81 KEAP1 (0.56) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL21229054 0.81 LSS (0.51) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL18666990 0.81 RAB9A (0.37) RAB9AMAPTLMNAXDHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 — — US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 — — EP disclosed
CN-112094264-A Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-12-18 — — CN disclosed
CN-108347943-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-07-10 — — CN disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 — — US disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — US disclosed
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 — — US disclosed
EP-3349580-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 — — EP disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 — — 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 (7 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC2 3158/4885HDAC6 2377/4885

“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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