SCHEMBL2925296

SCHEMBL2925296

COC(=O)c1nc(C)sc1-c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.48
PKM P14618 3/20 0.47
RCE1 Q9Y256 1/20 0.47
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALOX5 P09917 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
HPGDS O60760 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL270026 0.88 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL269910 0.85 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL924923 0.85 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL269345 0.85 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1338488 0.85 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL270516 0.85 HCRTR1 (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL7158163 0.85 HSD17B1 (0.48) HSD17B1HSD17B2ALOX5HPGDS
SCHEMBL496791 0.84 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1967240 0.82 PIN1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL923721 0.82 NQO2 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
WO-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 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 (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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 735/4885SMN1; SMN2 3816/4885ALDH1A1 702/4885

“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.