SCHEMBL205302

SCHEMBL205302

CN(C)Cc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.58
PARP2 Q9UGN5 2/20 0.53
PARP3 Q9Y6F1 2/20 0.53
TOP2A P11388 1/20 0.46
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.41
HTR3A P46098 3/20 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
SCHEMBL205416 0.86 TOP2A (0.64) PARP1TOP2AKDM4ENPC1ALDH1A1
SCHEMBL205875 0.83 PARP1 (0.58) PARP1PARP2PARP3TOP2AKDM4E
SCHEMBL3425536 0.83 TOP2A (0.46) PARP1TOP2AKDM4ENPC1ALDH1A1
SCHEMBL206237 0.83 TOP2A (0.45) PARP1PARP2PARP3TOP2AALDH1A1
SCHEMBL204524 0.82 PARP1 (0.53) PARP1TOP2AKDM4ENPC1ALDH1A1
SCHEMBL206779 0.81 DHODH (0.54) PARP1PARP2PARP3KDM4ENPC1
SCHEMBL3710917 0.81 TOP2A (0.58) PARP1TOP2AKDM4ENPC1ALDH1A1
SCHEMBL206525 0.81 PARP1 (0.52) PARP1TOP2AKDM4ENPC1ALDH1A1
SCHEMBL204764 0.81 TOP2A (0.61) PARP1PARP2PARP3TOP2AKDM4E
SCHEMBL206391 0.80 PARP1 (0.53) PARP1PARP2PARP3TOP2AHTR3A

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 6 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
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 2/4885PARP3 4/4885

“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.