SCHEMBL474173

SCHEMBL474173

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 6/20 0.47
RAB9A P51151 7/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX5 P09917 1/20 0.42
MAPT P10636 6/20 0.41
KDM4E B2RXH2 3/20 0.41
LTA4H P09960 4/20 0.40
HSD17B10 Q99714 1/20 0.38
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL474243 0.86 MPL (0.52) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2444321 0.85 TRPA1 (0.45) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10171329 0.81 RAB9A (0.49) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL16995488 0.80 RAB9A (0.54) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474416 0.80 ALDH1A1 (0.48) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL475099 0.80 RAB9A (0.50) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474343 0.78 MPL (0.47) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474234 0.77 ALDH1A1 (0.53) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL15436475 0.76 TRPA1 (0.51) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL609583 0.76 TRPA1 (0.49) RAB9ANPC1MEN1KMT2A

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
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.