SCHEMBL480651

SCHEMBL480651

O=C(CBr)Nc1nc(-c2ccc(F)cc2F)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MEN1 O00255 6/20 0.69
MAPT P10636 4/20 0.69
LMNA P02545 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
TRPA1 O75762 1/20 0.56
TRPV4 Q9HBA0 1/20 0.56
SIRT5 Q9NXA8 1/20 0.54
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
MPL P40238 2/20 0.53
AGER Q15109 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
CDC25A P30304 1/20 0.52
CDC25B P30305 1/20 0.52

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
SCHEMBL4411635 0.86 TRPA1 (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL18215289 0.83 MAPT (0.67) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL21586296 0.82 KMT2A (0.74) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL23604925 0.79 MAPT (0.65) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22753406 0.79 MAPT (0.65) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL480617 0.79 TRPA1 (0.59) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL22753407 0.77 MAPT (0.65) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4418652 0.77 KMT2A (0.58) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL610572 0.76 RORC (0.53) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL14355161 0.76 MAOA (0.60) KMT2AMEN1MAPTLMNAALDH1A1

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 17 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

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 KMT2A 4283/4885MEN1 4766/4885MAPT 1998/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 KMT2A 4260/4885MEN1 4615/4885MAPT 2007/4885

“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.