SCHEMBL480701

SCHEMBL480701

CC(C)(C)COc1ccc(-c2csc(NC(=O)CBr)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
RAB9A P51151 3/20 0.55
TRPA1 O75762 3/20 0.50
WNT3A P56704 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
ABL1 P00519 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL608664 0.88 ABL1 (0.52) MEN1KMT2ATRPA1ABL1TRPV4
SCHEMBL480728 0.88 TRPA1 (0.58) MEN1KMT2ARAB9ATRPA1WNT3A
SCHEMBL480700 0.83 TRPA1 (0.55) MEN1KMT2ARAB9ATRPA1ABL1
SCHEMBL611935 0.80 KMT2A (0.51) MEN1KMT2ARAB9ATRPA1
SCHEMBL480598 0.80 TRPA1 (0.61) MEN1KMT2ARAB9ATRPA1HDAC1
SCHEMBL2439165 0.79 MAPT (0.59) TRPA1TRPV4
SCHEMBL480792 0.79 TRPA1 (0.61) RAB9ATRPA1ABL1NPC1
SCHEMBL4418652 0.78 KMT2A (0.58) MEN1KMT2ARAB9AWNT3AHDAC1
SCHEMBL480652 0.78 TRPA1 (0.59) MEN1KMT2ARAB9ATRPA1NPC1
SCHEMBL13190714 0.78 KMT2A (0.65) MEN1KMT2ARAB9A

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 19 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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO 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

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 MEN1 4766/4885KMT2A 4283/4885RAB9A 2420/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 MEN1 4615/4885KMT2A 4260/4885RAB9A 2219/4885

“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.