SCHEMBL17242513

SCHEMBL17242513

C[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(F)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.50
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
PGR P06401 3/20 0.42
CYP17A1 P05093 1/20 0.42
CMA1 P23946 1/20 0.41
MAPK1 P28482 2/20 0.41
OPRM1 P35372 2/20 0.40
USP1 O94782 1/20 0.40
MET P08581 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL17242514 1.00 FEN1 (0.50) FEN1CA9CA12PGRCYP17A1
SCHEMBL17242787 1.00 FEN1 (0.50) FEN1CA9CA12PGRCYP17A1
SCHEMBL17242746 0.90 FEN1 (0.52) FEN1PGRCYP17A1MAPK1OPRM1
SCHEMBL17242807 0.90 CA9 (0.55) CA9CA12CMA1MAPK1OPRM1
SCHEMBL17242800 0.90 CA9 (0.55) CA9CA12CMA1MAPK1OPRM1
SCHEMBL17241505 0.84 PGR (0.49) CA9CA12PGRMAPK1OPRM1
SCHEMBL17241504 0.84 PGR (0.49) CA9CA12PGRMAPK1OPRM1
SCHEMBL17242519 0.84 PGR (0.49) CA9CA12PGRMAPK1OPRM1
SCHEMBL17241978 0.82 PARP1 (0.44) CA9CA12PGRCMA1MAPK1
SCHEMBL17242763 0.82 PARP1 (0.44) CA9CA12PGRCMA1MAPK1

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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 FEN1 4680/4885CA9 3799/4885CA12 4165/4885

“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.