SCHEMBL206391

SCHEMBL206391

NC(=O)c1cccc2oc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.53
HTR3A P46098 2/20 0.53
IKBKB O14920 2/20 0.52
TOP2A P11388 1/20 0.48
ADA P00813 1/20 0.48
PARP2 Q9UGN5 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
MAP4K4 O95819 1/20 0.43
ADK P55263 1/20 0.41
MAOA P21397 1/20 0.41
ADRA1A P35348 1/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CASP1 P29466 1/20 0.40

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
SCHEMBL120321 0.89 HTR3A (0.54) HTR3AIKBKBTOP2AADAADK
SCHEMBL3710917 0.87 TOP2A (0.58) PARP1HTR3AIKBKBTOP2A
SCHEMBL206525 0.87 PARP1 (0.52) PARP1HTR3AIKBKBTOP2AMAOA
SCHEMBL204764 0.87 TOP2A (0.61) PARP1HTR3AIKBKBTOP2APARP2
SCHEMBL206399 0.86 HTR3A (0.53) PARP1HTR3ATOP2A
SCHEMBL205454 0.86 TOP2A (0.48) PARP1HTR3ATOP2ARXFP1
SCHEMBL204524 0.86 PARP1 (0.53) PARP1HTR3AIKBKBTOP2ATHRB
SCHEMBL206244 0.84 PKN1 (0.52) PARP1HTR3ATOP2APARP2MAP4K4
SCHEMBL1387272 0.83 PARP1 (0.58) PARP1HTR3AIKBKBTOP2ARXFP1
SCHEMBL2964536 0.83 TOP2A (0.70) HTR3ATOP2AADKRXFP1

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 PARP1 1/4885HTR3A 2187/4885IKBKB 590/4885

“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.