SCHEMBL207416

SCHEMBL207416

CONCc1ccc(-c2nc3cc(F)cc(C(N)=O)c3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.53
PARP2 Q9UGN5 2/20 0.53
ESR2 Q92731 6/20 0.51
ESR1 P03372 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPSE Q9Y251 1/20 0.39
CETP P11597 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL205527 0.91 ESR2 (0.57) PARP1PARP2ESR2ESR1SMN1; SMN2
SCHEMBL205131 0.88 PARP1 (0.67) PARP1PARP2ESR2ESR1SMN1; SMN2
SCHEMBL205898 0.84 DHODH (0.51) PARP1ESR2ESR1SMN1; SMN2HPGD
SCHEMBL206537 0.82 ESR2 (0.50) PARP1PARP2ESR2ESR1CETP
SCHEMBL204368 0.82 ESR2 (0.54) PARP1PARP2ESR2ESR1SMN1; SMN2
SCHEMBL206041 0.81 ESR2 (0.58) PARP1PARP2ESR2ESR1SMN1; SMN2
SCHEMBL205470 0.78 ESR2 (0.60) ESR2ESR1SMN1; SMN2HPGDHSD17B10
SCHEMBL206340 0.76 CETP (0.56) ESR2ESR1SMN1; SMN2HPGDHSD17B10
SCHEMBL205888 0.76 ESR2 (0.57) PARP1PARP2ESR2ESR1SMN1; SMN2
SCHEMBL204849 0.74 ESR2 (0.65) ESR2ESR1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885ESR2 1492/4885

“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.