SCHEMBL474398

SCHEMBL474398

Nc1nc(-c2cccc(Cl)c2Cl)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HTR2C P28335 1/20 0.48
NUDT1 P36639 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2D6 P10635 2/20 0.46
MAOA P21397 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SCN4A P35499 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE3A Q14432 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ATP4A P20648 2/20 0.45

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
SCHEMBL30123146 0.85 HSD17B10 (0.62) MPLHSD17B10ALDH1A1KDM4EATP4A
SCHEMBL38240 0.85 HSD17B10 (0.62) MPLHSD17B10ALDH1A1KDM4EATP4A
Bromide SCHEMBL1915171 0.84 HSD17B10 (0.61) MPLHSD17B10ALDH1A1KDM4EATP4A
SCHEMBL474191 0.84 TYR (0.50) MPLHSD17B10ALDH1A1CYP2D6KDM4E
SCHEMBL1801817 0.83 MPL (0.63) MPLHSD17B10ALDH1A1CYP2D6KDM4E
SCHEMBL3766189 0.82 HTR2C (0.48) MPLHSD17B10HTR2CNUDT1ALDH1A1
SCHEMBL1764977 0.81 HTR2C (0.47) HTR2CNUDT1ALDH1A1MAPK1SCN9A
SCHEMBL28166445 0.79 ALDH1A1 (0.52) MPLHSD17B10ALDH1A1CYP2D6KDM4E
SCHEMBL29654229 0.78 CYP19A1 (0.63) MPLHSD17B10ALDH1A1KDM4EATP4A
SCHEMBL7432599 0.78 HTR2C (0.60) MPLHTR2CNUDT1ALDH1A1CYP2D6

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 6 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
WO-2010109329-A1 FUROPYRIMIDINEDIONE 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 (1 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 MPL 3150/4885HSD17B10 3242/4885HTR2C 111/4885

“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.