SCHEMBL474191

SCHEMBL474191

Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
HSD17B10 Q99714 5/20 0.47
MPL P40238 3/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
LTA4H P09960 2/20 0.44
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL474398 0.84 MPL (0.54) TYRHSD17B10MPLALDH1A1KDM4E
SCHEMBL19626491 0.80 RAB9A (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29519297 0.76 AMY1A (0.61) TYRALDH1A1KDM4ELTA4HMAPT
SCHEMBL129994 0.76 AMY1A (0.61) TYRALDH1A1KDM4ELTA4HMAPT
SCHEMBL1800878 0.76 ALDH1A1 (0.65) TYRHSD17B10MPLALDH1A1KDM4E
SCHEMBL19625324 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL38240 0.76 HSD17B10 (0.62) TYRHSD17B10MPLALDH1A1KDM4E
SCHEMBL30123146 0.76 HSD17B10 (0.62) TYRHSD17B10MPLALDH1A1KDM4E
Bromide SCHEMBL8355183 0.75 AMY1A (0.59) TYRALDH1A1KDM4ELTA4HMAPT
Bromide SCHEMBL1915171 0.74 HSD17B10 (0.61) HSD17B10MPLALDH1A1KDM4EMAPT

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 11 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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP 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 TYR 498/4885HSD17B10 3242/4885MPL 3150/4885

“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.