SCHEMBL269275

SCHEMBL269275

COC(=O)c1nc(C)sc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
PKM P14618 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HCRTR1 O43613 11/20 0.46
HCRTR2 O43614 9/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
RCE1 Q9Y256 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL18004116 0.86 KDM4E (0.50) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16398901 0.85 KDM4E (0.70) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL268694 0.85 SMN1; SMN2 (0.49) KDM4EPKMALDH1A1SMN1; SMN2HPGD
SCHEMBL271104 0.85 KDM4E (0.53) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL269217 0.85 HCRTR1 (0.46) KDM4EALDH1A1HCRTR1HCRTR2GAA
SCHEMBL271015 0.84 ALDH1A1 (0.56) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1141722 0.82 HCRTR1 (0.42) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL923728 0.82 KDM4E (0.53) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL496662 0.82 KDM4E (0.72) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL495789 0.82 KDM4E (0.72) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 CN disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
US-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP 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-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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 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 (2 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885PKM 2689/4885ALDH1A1 690/4885
US-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, OXTR KDM4E 1140/4885PKM 3781/4885ALDH1A1 821/4885

“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.