SCHEMBL7276765

SCHEMBL7276765

O=c1[nH]c2ccccc2c(=O)n2cccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.69
TP53 P04637 2/20 0.54
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
IDE P14735 1/20 0.49
MPI P34949 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
BLM P54132 2/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 2/20 0.48
TNKS O95271 1/20 0.48
GPR3 P46089 1/20 0.48
PMP22 Q01453 1/20 0.48
PARP15 Q460N3 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48

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
SCHEMBL29673205 0.82 PARP1 (1.00) PARP1TP53KDM4EALDH1A1DAO
SCHEMBL1133601 0.82 PARP1 (1.00) PARP1TP53KDM4EALDH1A1DAO
SCHEMBL6429242 0.79 ALDH1A1 (0.49) PARP1TP53KDM4EALDH1A1MAPT
SCHEMBL30273087 0.75 PARP1 (0.53) PARP1KDM4EALDH1A1MAPTMEN1
SCHEMBL14974166 0.74 PARP1 (0.57) PARP1TP53KDM4EALDH1A1NTRK1
SCHEMBL30902522 0.70 TP53 (1.00) PARP1TP53NTRK1NTRK3
SCHEMBL9415441 0.70 PARP1 (0.60) PARP1TP53ALDH1A1DAONTRK1
SCHEMBL22046017 0.70 TP53 (0.77) PARP1TP53ALDH1A1NTRK1NTRK3
SCHEMBL30809703 0.70 PDE2A (0.67) PARP1TP53DAOPOLBGRIN2D
SCHEMBL14361434 0.70 PARP1 (0.60) PARP1TP53ALDH1A1FEN1DAO

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-01-02 US disclosed
US-9770520-B2 Chelate nanoemulsion for MRI GUERBET (FR) 2017-09-26 US disclosed
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150320889-A1 Vectorised Magnetic Emulsion GUERBET (FR) 2015-11-12 US disclosed
US-20130309176-A1 CHELATE NANOEMULSION FOR MRI UNIVERSITE DE BORDEAUX 1 (FR) 2013-11-21 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
US-6362331-B1 PYRROLO(2,1-C)(1,4)BENZODIAZEPINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-03-26 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP 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 (4 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS PARP1 1089/4885TP53 2786/4885KDM4E 4213/4885
US-20130309176-A1 CHELATE NANOEMULSION FOR MRI SGMS1, SGMS2, PHOSPHO1 PARP1 4322/4885TP53 2065/4885KDM4E 4210/4885
US-20250000989-A1 PYRROLO BENZODIAZEPINE DERIVATIVE, AND CONJUGATE, PREPARATION METHOD AND USE THEREOF GABRA5, GABRA4, GABRA2 PARP1 1948/4885TP53 1269/4885KDM4E 878/4885
US-20150320889-A1 Vectorised Magnetic Emulsion SGMS2, TFRC, SGMS1 PARP1 4540/4885TP53 1824/4885KDM4E 4759/4885

“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.