SCHEMBL474265

SCHEMBL474265

Nc1nc(-c2cc(F)c(OCC3CC3)c(F)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX5 P09917 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MPL P40238 2/20 0.41
HSD17B10 Q99714 2/20 0.38
LTA4H P09960 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL15580577 0.95 FFAR4 (0.49) FFAR4RAB9AALDH1A1MEN1KMT2A
SCHEMBL27986837 0.84 LTA4H (0.40) FFAR4RAB9AALDH1A1MEN1KMT2A
SCHEMBL1803459 0.83 RAB9A (0.62) FFAR4RAB9AALDH1A1MEN1KMT2A
SCHEMBL30345321 0.80 FFAR4 (0.70) FFAR4
SCHEMBL16995488 0.80 RAB9A (0.54) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL2451133 0.79 LTA4H (0.39) FFAR4RAB9AALDH1A1MEN1KMT2A
SCHEMBL474243 0.78 MPL (0.52) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL475099 0.77 RAB9A (0.50) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL474234 0.77 ALDH1A1 (0.53) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL481106 0.76 TRPA1 (0.45) FFAR4RAB9AALDH1A1MEN1KMT2A

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 14 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
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US 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
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US 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 (2 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 FFAR4 312/4885RAB9A 2462/4885ALDH1A1 449/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 FFAR4 153/4885RAB9A 2497/4885ALDH1A1 871/4885

“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.