SCHEMBL208169

SCHEMBL208169

NC(=O)c1cccc2oc(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
MMP2 P08253 4/20 0.56
MMP9 P14780 4/20 0.56
MMP8 P22894 4/20 0.56
MMP13 P45452 4/20 0.56
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
MCL1 Q07820 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TOP2A P11388 1/20 0.45
POLB P06746 1/20 0.44
CASP1 P29466 1/20 0.43
CDC7 O00311 1/20 0.43
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL205623 0.90 MMP2 (0.59) PARP1MMP2MMP9MMP8MMP13
SCHEMBL206911 0.88 RAB9A (0.51) PARP1RAB9AMAPTNPC1MEN1
SCHEMBL7022264 0.84 TOP2A (0.65) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL206525 0.83 PARP1 (0.52) PARP1RAB9AMAPTNPC1ATM
SCHEMBL3710917 0.83 TOP2A (0.58) PARP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL204764 0.83 TOP2A (0.61) PARP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL206391 0.82 PARP1 (0.53) PARP1TOP2ACASP1
SCHEMBL204524 0.82 PARP1 (0.53) PARP1RAB9AMAPTNPC1ATM
SCHEMBL205454 0.82 TOP2A (0.48) PARP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL206399 0.82 HTR3A (0.53) PARP1RAB9AMAPTNPC1MEN1

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 11 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
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
EP-0879820-B1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 2001-12-12 EP disclosed
US-6316455-B1 Method of improving the effectiveness of a cytotoxic drug or radiotherapy using a quinazolinone compound NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-11-13 US disclosed
US-6015827-A Benzoxazole-4-carboxamides and their use in inhibiting poly (adp-ribose) polymerase activity and improving cytotoxic effectiveness of cytotoxic drugs or radiotherapy NEWCASTLE UNIVERSITY VENTURES LIMITED 2000-01-18 US disclosed
EP-0879820-A1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-11-25 EP disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US 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
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO 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 1/4885MMP2 698/4885MMP9 251/4885

“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.