SCHEMBL1970424

SCHEMBL1970424

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 3/20 0.42
RCE1 Q9Y256 1/20 0.42
MAPK14 Q16539 7/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
IKBKB O14920 1/20 0.39
MAPK13 O15264 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39
MAPK1 P28482 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FRK P42685 1/20 0.39
MAPK8 P45983 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
SCHEMBL1969827 0.87 PIN1 (0.46) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL2056904 0.82 KDM4E (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL270026 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1971417 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1339928 0.80 KDM4E (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL496473 0.79 KDM4E (0.73) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1970681 0.78 TRPV1 (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL2928657 0.78 KDM4E (0.71) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL983766 0.75 HCRTR1 (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL6504101 0.71 L3MBTL1 (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD

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 3 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885ALDH1A1 2292/4885HSD17B10 3687/4885

“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.