SCHEMBL474246

SCHEMBL474246

Nc1nc(-c2cc(F)c(F)cc2F)cs1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPL P40238 6/20 0.59
TYR P14679 1/20 0.49
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 2/20 0.48
ALOX5 P09917 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NR4A1 P22736 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.45
PLAU P00749 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL10315993 0.85 TYR (0.56) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL1801800 0.83 MPL (0.61) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL1802023 0.83 MPL (0.61) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL1800446 0.80 MPL (0.59) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL30123292 0.79 MPL (0.67) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL31006087 0.79 MPL (0.67) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL62517 0.79 MPL (0.67) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL1916792 0.79 MPL (0.67) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL10315632 0.79 MPL (0.60) MPLTYRALDH1A1RAB9AALOX5
SCHEMBL10315633 0.79 MPL (0.47) MPLTYRALDH1A1RAB9AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US disclosed
EP-2411395-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 MPL 3150/4885TYR 498/4885ALDH1A1 449/4885

“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.