SCHEMBL204524

SCHEMBL204524

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.53
IKBKB O14920 2/20 0.52
TOP2A P11388 2/20 0.51
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTR3A P46098 3/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL206232 0.89 TOP2A (0.56) IKBKBTOP2ANPC1ALDH1A1RAB9A
SCHEMBL3710917 0.87 TOP2A (0.58) PARP1IKBKBTOP2ANPC1ALDH1A1
SCHEMBL206525 0.87 PARP1 (0.52) PARP1IKBKBTOP2ANPC1ALDH1A1
SCHEMBL204764 0.87 TOP2A (0.61) PARP1IKBKBTOP2ANPC1ALDH1A1
SCHEMBL205454 0.86 TOP2A (0.48) PARP1TOP2ANPC1ALDH1A1RAB9A
SCHEMBL206391 0.86 PARP1 (0.53) PARP1IKBKBTOP2ARXFP1HTR3A
SCHEMBL206399 0.86 HTR3A (0.53) PARP1TOP2ANPC1ALDH1A1RAB9A
SCHEMBL1387272 0.85 PARP1 (0.58) PARP1IKBKBTOP2ANPC1ALDH1A1
SCHEMBL206244 0.84 PKN1 (0.52) PARP1TOP2AALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL28769336 0.84 PARP1 (0.57) PARP1IKBKBTOP2ANPC1ALDH1A1

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 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
CN-1081624-C Benzamide analogs, useful as PARP (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors NEWCASTLE UNIV VENTURE INVEST (GB) 2002-03-27 CN disclosed
CN-1143358-A Benzamide analogs, useful as parp (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 1997-02-19 CN 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 1/4885IKBKB 590/4885TOP2A 70/4885

“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.