SCHEMBL496791

SCHEMBL496791

COC(=O)c1nc(C)sc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
GAA P10253 1/20 0.60
ALOX5 P09917 1/20 0.54
PKM P14618 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GRM6 O15303 1/20 0.51
GRM5 P41594 1/20 0.51
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
NTRK1 P04629 1/20 0.47
RCE1 Q9Y256 1/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
HCRTR1 O43613 1/20 0.46

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
SCHEMBL271015 0.88 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL270026 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL495789 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL923728 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL271104 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496662 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3317668 0.85 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL980858 0.84 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2925296 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2189929 0.84 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217593-B Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
CN-116217593-A Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2023-06-06 CN disclosed
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 CN disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed