SCHEMBL1799098

SCHEMBL1799098

Cn1c(=O)n(CC2CC2)c(=O)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
PARG Q86W56 5/20 0.41
PDE5A O76074 4/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
GRM2 Q14416 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 1/20 0.35
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 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
SCHEMBL1800761 0.81 MAPT (0.46) PKMGAAKDM4ELMNAMAPT
SCHEMBL1800384 0.80 PDE5A (0.44) CNR2PARGPDE5APDE4APDE4B
SCHEMBL1801256 0.75 CNR2 (0.43) CNR2
SCHEMBL1803440 0.74 MAPK10 (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2680469 0.72 CYP1A2 (0.54) PARGGAALMNACRHR1CRHR2
SCHEMBL4769379 0.67 ALDH1A1 (0.42) PARGPDE5APDE4APDE4BPDE4C
SCHEMBL31248946 0.67 TDP1 (0.46) PKMGAAKDM4ELMNAMAPT
SCHEMBL30563805 0.67 HSD17B13 (0.48) GRM2PKMGAAKDM4EMAPT
SCHEMBL26235830 0.67 HSD17B13 (0.48) GRM2PKMGAAKDM4EMAPT
SCHEMBL12434372 0.66 PARG (0.54) PARGKDM4ENPSR1CRHR1CRHR2

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 CNR2 73/4885PARG 4322/4885PDE5A 2246/4885

“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.