SCHEMBL480911

SCHEMBL480911

O=C(CBr)Nc1nc(-c2cc(F)c(OC(F)F)c(F)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.55
KMT2A Q03164 11/20 0.47
MEN1 O00255 10/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 1/20 0.45
ELOVL1 Q9BW60 1/20 0.45
PI4KB Q9UBF8 1/20 0.44
ROCK1 Q13464 2/20 0.44
ROCK2 O75116 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
PRKACA P17612 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
SCHEMBL4410358 0.88 ABL1 (0.47) TRPA1KMT2API4KBROCK1ROCK2
SCHEMBL480940 0.84 TRPA1 (0.59) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL2453828 0.83 ABL1 (0.48) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL480652 0.82 TRPA1 (0.59) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL15417597 0.82 KMT2A (0.46) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL480870 0.82 TRPA1 (0.49) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL480728 0.81 TRPA1 (0.58) TRPA1KMT2AMEN1RAB9API4KB
SCHEMBL481106 0.81 TRPA1 (0.45) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL609583 0.81 TRPA1 (0.49) TRPA1KMT2AMEN1RAB9ANPC1
SCHEMBL15580544 0.80 TRPA1 (0.50) TRPA1KMT2AMEN1RAB9API4KB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed
WO-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 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 (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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885KMT2A 4283/4885MEN1 4766/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 TRPA1 1/4885KMT2A 4260/4885MEN1 4615/4885

“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.