SCHEMBL924935

SCHEMBL924935

COC(=O)c1nc(C)sc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
PKM P14618 3/20 0.74
RCE1 Q9Y256 1/20 0.74
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NOTUM Q6P988 1/20 0.51
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A3 Q01959 6/20 0.45
SLC6A2 P23975 3/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
SLC6A4 P31645 1/20 0.43
MAPT P10636 2/20 0.42
RHEB Q15382 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL923718 0.85 KDM4E (0.53) KDM4EPKMRCE1HCRTR1HCRTR2
SCHEMBL495789 0.85 KDM4E (0.72) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL269966 0.83 KDM4E (0.52) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL270516 0.83 HCRTR1 (0.52) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL271015 0.81 ALDH1A1 (0.56) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL496218 0.81 KDM4E (0.50) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL980857 0.80 KDM4E (0.49) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL270026 0.80 KDM4E (0.53) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL269359 0.80 GAA (0.49) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL923728 0.79 KDM4E (0.53) KDM4EPKMRCE1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives 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-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP 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-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-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

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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 KDM4E 1064/4885PKM 4867/4885RCE1 3615/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885PKM 2251/4885RCE1 2286/4885

“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.