SCHEMBL474270

SCHEMBL474270

Nc1nc(-c2ccc(F)c(Br)c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.63
ALDH1A1 P00352 10/20 0.59
RAB9A P51151 9/20 0.59
ALOX5 P09917 1/20 0.59
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 8/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
HK1 P19367 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
AR P10275 1/20 0.54
GFER P55789 1/20 0.54
LTA4H P09960 3/20 0.51
TP53 P04637 2/20 0.50

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
SCHEMBL126685 0.84 MPL (0.69) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL25243665 0.83 MPL (0.67) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL31084655 0.83 MPL (0.67) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL1765084 0.82 MAPT (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1801175 0.80 MPL (0.63) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL2762257 0.80 MPL (0.63) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL10315917 0.80 LTA4H (0.59) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL16345828 0.80 RAB9A (0.57) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL29085894 0.79 RAB9A (0.65) MPLALDH1A1RAB9AALOX5NPC1
SCHEMBL17602513 0.78 MEN1 (0.46) MPLALDH1A1RAB9ANPC1SMN1; 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
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

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 3150/4885ALDH1A1 449/4885RAB9A 2462/4885

“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.