SCHEMBL1799237

SCHEMBL1799237

C=CCc1cccc2[nH]c(=O)n(C(=O)OCC)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPEPPS P55786 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35

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
SCHEMBL1802172 0.83 PLA2G2A (0.46) HSD17B10KDM4ENPC1GAASMN1; SMN2
SCHEMBL6219061 0.70 CHRM2 (0.53) GAAMEN1KMT2APOLBADORA3
SCHEMBL1858707 0.68 KDM4E (0.47) HSD17B10KDM4ENPC1GAASMN1; SMN2
SCHEMBL2247787 0.66 DAO (0.54) HSD17B10KDM4ENPC1GAASMN1; SMN2
SCHEMBL1801055 0.66 GAA (0.42) KDM4EMAPK1NPC1GAAALDH1A1
SCHEMBL28178527 0.64 MAP3K5 (0.46) HSD17B10KDM4ENPC1GAASMN1; SMN2
SCHEMBL8097979 0.64 GABRA1 (0.51) HSD17B10KDM4EMAPK1NPC1GAA
SCHEMBL5467237 0.64 SMN1; SMN2 (0.56) HSD17B10KDM4ENPC1GAASMN1; SMN2
SCHEMBL4251896 0.63 TSHR (0.62) HSD17B10KDM4EMAPK1ALDH1A1LMNA
SCHEMBL8523675 0.63 HSD17B10 (0.57) HSD17B10KDM4EMAPK1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 — — US disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 — — WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 — — US 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-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 HSD17B10 2398/4885KDM4E 4660/4885MAPK1 1800/4885

“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.

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