SCHEMBL205131

SCHEMBL205131

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.67
PARP2 Q9UGN5 4/20 0.67
ESR2 Q92731 5/20 0.54
ESR1 P03372 3/20 0.54
HPSE Q9Y251 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL207416 0.88 PARP1 (0.53) PARP1PARP2ESR2ESR1HPSE
SCHEMBL206041 0.88 ESR2 (0.58) PARP1PARP2ESR2ESR1HPSE
SCHEMBL204368 0.84 ESR2 (0.54) PARP1PARP2ESR2ESR1TP53
SCHEMBL205115 0.83 DHODH (0.54) PARP1PARP2ESR2ESR1TP53
SCHEMBL206537 0.81 ESR2 (0.50) PARP1PARP2ESR2ESR1CETP
SCHEMBL16286825 0.81 PARP1 (1.00) PARP1PARP2ESR2ESR1
SCHEMBL30158037 0.81 PARP1 (1.00) PARP1PARP2ESR2ESR1
Hydrochloric Acid SCHEMBL29369538 0.80 PARP1 (1.00) PARP1PARP2ESR2ESR1
Hydrochloric Acid SCHEMBL16286708 0.80 PARP1 (1.00) PARP1PARP2ESR2ESR1
SCHEMBL205527 0.78 ESR2 (0.57) PARP1PARP2ESR2ESR1TP53

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 8 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
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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
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 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.