SCHEMBL206041

SCHEMBL206041

CNCc1ccc(-c2nc3cc(F)cc(C(=O)OC)c3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.58
PARP1 P09874 3/20 0.52
PARP2 Q9UGN5 2/20 0.52
ESR1 P03372 2/20 0.47
CETP P11597 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL205527 0.90 ESR2 (0.57) ESR2PARP1PARP2ESR1CETP
SCHEMBL205470 0.88 ESR2 (0.60) ESR2ESR1CETPSMN1; SMN2HPGD
SCHEMBL205131 0.88 PARP1 (0.67) ESR2PARP1PARP2ESR1CETP
SCHEMBL205888 0.86 ESR2 (0.57) ESR2PARP1PARP2ESR1CETP
SCHEMBL204849 0.85 ESR2 (0.65) ESR2ESR1CETPSMN1; SMN2HPGD
SCHEMBL207162 0.84 ESR2 (0.55) ESR2ESR1CETPSMN1; SMN2HPGD
SCHEMBL206427 0.83 CETP (0.56) ESR2PARP1ESR1CETPSMN1; SMN2
SCHEMBL16286977 0.81 PARP1 (0.77) ESR2PARP1PARP2ESR1HPGD
SCHEMBL207416 0.81 PARP1 (0.53) ESR2PARP1PARP2ESR1CETP
SCHEMBL205361 0.75 CETP (0.50) ESR2ESR1CETPSMN1; SMN2HPGD

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 disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 ESR2 1492/4885PARP1 1/4885PARP2 2/4885

“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.