SCHEMBL474309

SCHEMBL474309

Nc1nc(-c2ccc(OCC(F)(F)F)c(Cl)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.52
RAB9A P51151 10/20 0.51
ALDH1A1 P00352 9/20 0.51
NPC1 O15118 8/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LTA4H P09960 5/20 0.48
MAPT P10636 7/20 0.45
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
AR P10275 1/20 0.44
GFER P55789 1/20 0.44
ALOX5 P09917 1/20 0.44
TRPA1 O75762 1/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL474331 0.87 RAB9A (0.51) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474174 0.85 RAB9A (0.67) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474224 0.84 MPL (0.52) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474418 0.84 ALDH1A1 (0.53) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474221 0.84 MPL (0.45) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1801171 0.83 MPL (0.64) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474343 0.80 MPL (0.47) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474206 0.79 MPL (0.67) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1915502 0.79 ALDH1A1 (0.69) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474887 0.78 ALDH1A1 (0.53) MPLRAB9AALDH1A1NPC1SMN1; 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 MPL 3150/4885RAB9A 2462/4885ALDH1A1 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.