SCHEMBL474887

SCHEMBL474887

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
RAB9A P51151 10/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LTA4H P09960 3/20 0.48
MAPT P10636 8/20 0.47
KDM4E B2RXH2 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
AR P10275 1/20 0.47
GFER P55789 1/20 0.47
ALOX5 P09917 1/20 0.46
MPL P40238 1/20 0.45
TRPA1 O75762 1/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL474277 0.84 RAB9A (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474727 0.83 RAB9A (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474175 0.81 LTA4H (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1915502 0.81 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30440265 0.81 MPL (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL17386769 0.81 MPL (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474418 0.81 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474309 0.78 MPL (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474314 0.77 RAB9A (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10340168 0.76 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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 12 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
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-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 ALDH1A1 449/4885RAB9A 2462/4885NPC1 1001/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ALDH1A1 871/4885RAB9A 2497/4885NPC1 570/4885

“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.