Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15569386

CC1(C)CCCC(C)(C)N1Cl.[Cl-].[Cl-].[Cl-].[Li+].[Zn+2]

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4142375 0.91 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL21517924 0.88 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL28586980 0.88 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL15525247 0.88 TSHR (0.33) TSHRNFKB1CYP2C19
Methylamine SCHEMBL23410411 0.86 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL28349565 0.86 TSHR (0.32) TSHRNFKB1CYP2C19
Magnesium Chloride Anhydrous SCHEMBL28609893 0.81 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL16236606 0.76
Methacrylic Acid SCHEMBL28774452 0.71 TSHR (0.40) TSHRNFKB1CYP2C19
Acrylic Acid SCHEMBL27814354 0.71 TSHR (0.40) TSHRNFKB1CYP2C19

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387957-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES FMC Corporation (US) 2024-06-26 EP disclosed
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 WO disclosed
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 EP disclosed
US-11878973-B2 Bicyclic compounds and their uses NOVARTIS AG (CH) 2024-01-23 US disclosed
US-20230095836-A1 SUBSTITUTED 5,6-DIPHENYL-3(2H)-PYRIDAZINONES FOR USE AS FUNGICIDES FMC CORPORATION 2023-03-30 US disclosed
WO-2023023242-A1 FUNGICIDAL SUBSTITUTED HETEROCYCLES FMC CORPORATION (US) 2023-02-23 WO disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
EP-4103554-A1 SUBSTITUTED 5,6-DIPHENYL-3(2H)-PYRIDAZINONES FOR USE AS FUNGICIDES FMC CORPORATION (US) 2022-12-21 EP disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 WO disclosed
WO-2021163519-A1 SUBSTITUTED 5,6-DIPHENYL-3(2H)-PYRIDAZINONES FOR USE AS FUNGICIDES FMC CORPORATION (US) 2021-08-19 WO disclosed
CN-105899507-B Aryl sultam derivative as RORc regulator 豪夫迈·罗氏有限公司 2019-06-07 CN disclosed
US-10259808-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20180263996-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-09-20 US disclosed
EP-3319962-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-05-16 EP disclosed
US-20180118683-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180105516-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-04-19 US disclosed
WO-2017005668-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-01-12 WO disclosed
WO-2017005900-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-01-12 WO disclosed
CN-105899507-A Aryl sultam derivatives as rorc modulators 豪夫迈·罗氏有限公司 2016-08-24 CN disclosed
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 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-20180105516-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA TSHR 490/4885NFKB1 736/4885CYP2C19 232/4885
US-11878973-B2 Bicyclic compounds and their uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 TSHR 1331/4885NFKB1 2230/4885CYP2C19 435/4885
US-20230095836-A1 SUBSTITUTED 5,6-DIPHENYL-3(2H)-PYRIDAZINONES FOR USE AS FUNGICIDES PNPO, CBR3, CYP2D6 TSHR 2948/4885NFKB1 1273/4885CYP2C19 89/4885
US-20180263996-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB TSHR 368/4885NFKB1 922/4885CYP2C19 396/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 TSHR 1331/4885NFKB1 2230/4885CYP2C19 435/4885
US-10259808-B2 Aryl sultam derivatives as RORc modulators RORC, RORB, RORA TSHR 490/4885NFKB1 736/4885CYP2C19 232/4885
US-20180118683-A1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B TSHR 446/4885NFKB1 2930/4885CYP2C19 485/4885

“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.