SCHEMBL352152

SCHEMBL352152

O=C(O)c1csc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.73
ALDH1A1 P00352 1/20 0.72
HDAC1 Q13547 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
TDP1 Q9NUW8 2/20 0.66
KDM4E B2RXH2 2/20 0.62
TLR7 Q9NYK1 1/20 0.60
ACHE P22303 1/20 0.59
MAPT P10636 1/20 0.59
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGER1 P34995 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN1 P18031 1/20 0.58

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 SCHEMBL6821751 0.98 HPGDS (0.71) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL26319518 0.96 ALDH1A1 (0.73) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL27768678 0.89 HDAC1 (0.70) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL657641 0.87 ALDH1A1 (0.70) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL7776324 0.87 ALDH1A1 (0.65) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL2311294 0.85 HPGDS (1.00) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL168519 0.85 HTR2B (0.66) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL2104811 0.85 ALDH1A1 (0.73) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL1574742 0.85 HDAC1 (0.66) HPGDSALDH1A1HDAC1HDAC8HDAC6
SCHEMBL1785557 0.85 ALDH1A1 (0.73) HPGDSALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108546225-B Process for producing nitrile and corresponding amine 中国石化扬子石油化工有限公司 2022-07-15 CN claimed
CN-111892532-A Method for synthesizing 3-Cl propionyl substituted heterocyclic compound containing N by using micro-reaction device 南京工业大学 2020-11-06 CN claimed
CN-108546225-A The manufacturing method of nitrile and its corresponding amine 中国石化扬子石油化工有限公司 2018-09-18 CN claimed
CN-104557357-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2018-04-27 CN claimed
CN-104557357-A Process for the manufacture of nitriles and their corresponding amines SINOPEC YANGZI PETROCHEMICAL 2015-04-29 CN claimed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN claimed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
CN-101316844-A Inhibitors of diacylglycerol acyltransferase (DGAT) HOFFMANN LA ROCHE (CH) 2008-12-03 CN claimed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed

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-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ HPGDS 615/4885ALDH1A1 3512/4885HDAC1 346/4885

“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.