SCHEMBL854498

SCHEMBL854498

NC(=O)c1cccc2ocnc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.50
PIN1 Q13526 1/20 0.42
GLA P06280 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 1/20 0.40
AURKA O14965 2/20 0.40
RPS6KB1 P23443 2/20 0.40
AURKB Q96GD4 1/20 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
Hydrochloric Acid SCHEMBL28771898 0.98 PARP1 (0.49) PARP1PIN1GLAALDH1A1ADORA2A
Hydrochloric Acid SCHEMBL27755480 0.98 PARP1 (0.49) PARP1PIN1GLAALDH1A1ADORA2A
Hydrochloric Acid SCHEMBL27755490 0.97 PARP1 (0.47) PARP1PIN1GLAALDH1A1ADORA2A
SCHEMBL28007491 0.85 PIN1 (0.47) PARP1PIN1ALDH1A1ADORA2A
SCHEMBL984268 0.84 PIN1 (0.52) PIN1ALDH1A1
SCHEMBL15897691 0.82 PIN1 (0.45) PIN1GLAALDH1A1
Hydrochloric Acid SCHEMBL27755478 0.82 PIN1 (0.51) PIN1ALDH1A1
SCHEMBL2009467 0.82 PIN1 (0.42) PARP1PIN1ALDH1A1ADORA2A
Hydrochloric Acid SCHEMBL27928599 0.82 PIN1 (0.51) PIN1ALDH1A1
SCHEMBL27755564 0.82 PIN1 (0.51) PIN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684736-B1 DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER KUDOS PHARM LTD (GB) 2011-08-24 EP claimed
US-20090270377-A1 COMBINATION CANCER CHEMOTHERAPY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-10-29 US claimed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN claimed
WO-2007137000-A2 COMBINATION CANCER CHEMOTHERAPY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-11-29 WO claimed
EP-0897915-B1 Quinazolinone compounds as chemotherapeutic agents UNIV NEWCASTLE VENTURES LTD (GB) 2003-01-22 EP claimed
CN-1081624-C Benzamide analogs, useful as PARP (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors NEWCASTLE UNIV VENTURE INVEST (GB) 2002-03-27 CN 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-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 claimed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 EP 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
CN-1143358-A Benzamide analogs, useful as parp (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 1997-02-19 CN 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
US-12559525-B2 Conjugated fibronectin-binding peptides for use in tumor or fibrosis diagnosis and therapy ETH Zürich (CH) 2026-02-24 US disclosed
EP-4282490-B1 FIBRONECTIN-BINDING PEPTIDES FOR USE IN TUMOR OR FIBROSIS DIAGNOSIS AND THERAPY ETH ZUERICH (CH) 2025-11-12 EP disclosed
CN-118302433-A Fibronectin binding peptides for diagnosis and treatment of tumors or fibrosis 苏黎世联邦理工学院 2024-07-05 CN 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
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
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 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 (2 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-12559525-B2 Conjugated fibronectin-binding peptides for use in tumor or fibrosis diagnosis and therapy FN1, ASNS, FNIP1 PARP1 2788/4885PIN1 1697/4885GLA 1529/4885
US-20090270377-A1 COMBINATION CANCER CHEMOTHERAPY NCL, NSUN3, NOP58 PARP1 118/4885PIN1 2025/4885GLA 2901/4885

“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.