SCHEMBL204764

SCHEMBL204764

NC(=O)c1cccc2oc(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.61
PARP1 P09874 7/20 0.52
IKBKB O14920 1/20 0.51
HTR3A P46098 1/20 0.50
DHODH Q02127 2/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.45
BCAT2 O15382 1/20 0.45
RCE1 Q9Y256 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
IDO1 P14902 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL3710917 0.97 TOP2A (0.58) TOP2APARP1IKBKBHTR3ADHODH
SCHEMBL121325 0.89 TOP2A (0.65) TOP2AIKBKBHTR3ADHODHRAB9A
SCHEMBL206525 0.88 PARP1 (0.52) TOP2APARP1IKBKBHTR3ARAB9A
SCHEMBL206244 0.88 PKN1 (0.52) TOP2APARP1HTR3AKDM4EHSD17B10
SCHEMBL204524 0.87 PARP1 (0.53) TOP2APARP1IKBKBHTR3ARAB9A
SCHEMBL205454 0.87 TOP2A (0.48) TOP2APARP1HTR3ARAB9AKDM4E
SCHEMBL206391 0.87 PARP1 (0.53) TOP2APARP1IKBKBHTR3APARP2
SCHEMBL206399 0.87 HTR3A (0.53) TOP2APARP1HTR3ARAB9AKDM4E
SCHEMBL206178 0.86 PARP1 (0.54) TOP2APARP1IKBKBRAB9AKDM4E
SCHEMBL205783 0.85 IKBKB (0.56) TOP2APARP1IKBKBDHODHRAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299413-A A method of no metal catalytic prepares 2- (aminocarbonyl phenyl) benzoxazoles and its derivative 复旦大学 2018-07-20 CN claimed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US claimed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO claimed
EP-0879820-B1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 2001-12-12 EP claimed
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 claimed
EP-0879820-A1 Benzamide analogues, useful as PARP (ADP-Ribosyltransferase, ADPRT) DNA repair enzyme inhibitors NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-11-25 EP claimed
JP-H09510704-A 1997-10-28 JP claimed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP claimed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO claimed
CN-108299413-A A method of no metal catalytic prepares 2- (aminocarbonyl phenyl) benzoxazoles and its derivative 复旦大学 2018-07-20 CN disclosed
CN-108299413-A A method of no metal catalytic prepares 2- (aminocarbonyl phenyl) benzoxazoles and its derivative 复旦大学 2018-07-20 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 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
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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TOP2A 20/4885PARP1 1/4885IKBKB 1693/4885

“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.