SCHEMBL4638697

SCHEMBL4638697

NC(=O)c1cccc(OCc2ccc(Br)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.74
MAOA P21397 2/20 0.74
SMPD1 P17405 2/20 0.72
F2 P00734 2/20 0.61
HPD P32754 1/20 0.58
PARP10 Q53GL7 2/20 0.58
PARP15 Q460N3 1/20 0.58
PARP14 Q460N5 1/20 0.58
NR4A2 P43354 3/20 0.57
MRGPRX4 Q96LA9 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL202474 0.87 PARP15 (0.77) MAOBMAOASMPD1F2PARP10
SCHEMBL7442228 0.87 F2 (0.63) MAOBMAOASMPD1F2PARP10
SCHEMBL1387246 0.86 NR4A2 (0.77) MAOBSMPD1F2PARP10NR4A2
SCHEMBL4640232 0.85 NR4A2 (0.76) MAOBMAOAF2HPDPARP10
SCHEMBL4639668 0.85 MAOB (0.76) MAOBMAOAF2HPDPARP10
SCHEMBL4638741 0.85 NR4A2 (0.76) MAOBMAOASMPD1F2HPD
SCHEMBL7451063 0.85 NR4A2 (0.70) MAOBSMPD1F2PARP10NR4A2
SCHEMBL12182449 0.85 MAOB (1.00) MAOBMAOASMPD1HPD
Hydrochloric Acid SCHEMBL27603151 0.85 NR4A2 (0.74) MAOBSMPD1F2PARP10NR4A2
Hydrochloric Acid SCHEMBL5177543 0.84 NR4A2 (0.74) MAOBMAOASMPD1F2HPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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-0749415-B1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS UNIV NEWCASTLE VENTURES LTD (GB) 1999-09-08 EP claimed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US 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-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 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-0749415-B1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS UNIV NEWCASTLE VENTURES LTD (GB) 1999-09-08 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 (3 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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 MAOB 4776/4885MAOA 4843/4885SMPD1 1911/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 MAOB 2815/4885MAOA 3892/4885SMPD1 356/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 MAOB 4776/4885MAOA 4843/4885SMPD1 1911/4885

“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.