SCHEMBL1964753

SCHEMBL1964753

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
PKM P14618 4/20 0.70
RCE1 Q9Y256 1/20 0.70
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HPGD P15428 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 2/20 0.40
FBP1 P09467 1/20 0.40
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
MAP3K14 Q99558 1/20 0.39
HTT P42858 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL269966 0.86 KDM4E (0.52) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL986683 0.85 KDM4E (0.51) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL28791714 0.85 ALDH1A1 (0.56) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL926725 0.85 KDM4E (0.77) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL496473 0.83 KDM4E (0.73) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2056664 0.82 KDM4E (0.48) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2928657 0.82 KDM4E (0.71) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL496375 0.81 KDM4E (0.75) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL9586961 0.81 KDM4E (1.00) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL14172837 0.81 KDM4E (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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 2689/4885RCE1 3539/4885
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.