SCHEMBL474388

SCHEMBL474388

Nc1nc(-c2cc(F)c(F)c(F)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
RAB9A P51151 9/20 0.58
ALOX5 P09917 1/20 0.58
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 7/20 0.56
KDM4E B2RXH2 4/20 0.56
MPL P40238 4/20 0.54
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
AR P10275 1/20 0.49
GFER P55789 1/20 0.49
LTA4H P09960 2/20 0.48
LMNA P02545 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL1800105 0.85 MPL (0.68) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL17407200 0.85 ALDH1A1 (0.58) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL10315918 0.85 ALDH1A1 (0.55) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL474185 0.82 MPL (0.60) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL480736 0.82 MAPT (0.68) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL126685 0.81 MPL (0.69) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL1801918 0.80 ALDH1A1 (0.66) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL29085894 0.79 RAB9A (0.65) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL17407198 0.78 ALDH1A1 (0.51) ALDH1A1RAB9AALOX5NPC1SMN1; SMN2
SCHEMBL474167 0.78 ALDH1A1 (0.51) ALDH1A1RAB9AALOX5NPC1SMN1; 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 7 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
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US 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
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 ALDH1A1 449/4885RAB9A 2462/4885ALOX5 475/4885

“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.