SCHEMBL5597402

SCHEMBL5597402

O=C1Cc2ccccc2[N+](=O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.35
CES1 P23141 2/20 0.33
BCHE P06276 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ANPEP P15144 1/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
MAP3K14 Q99558 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL7376583 0.85 CYP1A2 (0.37) CYP1A2CYP2A6MAOACES1
SCHEMBL9847703 0.70 CYP1A2 (0.42) CYP1A2CYP2A6MAOACES1BCHE
SCHEMBL16720889 0.69 MEN1 (0.43) CYP1A2CYP2A6MAOA
SCHEMBL29366435 0.69 CYP1A2 (1.00) CYP1A2CYP2A6MAOACES1BCHE
SCHEMBL77106 0.69 CYP1A2 (1.00) CYP1A2CYP2A6MAOACES1BCHE
SCHEMBL195129 0.68 CYP1A2 (0.31) CYP1A2
SCHEMBL3649668 0.67 MAOB (0.38) CYP1A2CYP2A6MAOACES1BCHE
SCHEMBL10845533 0.67 CYP2A6 (0.48) CYP1A2CYP2A6MAOACES1BCHE
SCHEMBL10463768 0.66 CYP1A2 (0.94) CYP1A2CYP2A6MAOACES1BCHE
Ammonia Solution, Strong SCHEMBL13736473 0.66 CYP1A2 (0.94) CYP1A2CYP2A6MAOACES1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358479-B Synthesis method of pyrrolo [3,4-c ] quinoline-1, 3-dione compound 西北师范大学 2023-06-16 CN claimed
CN-105705147-B Novel oxazolidone antimicrobial compound 李药业有限公司 2019-06-28 CN claimed
EP-0660824-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1995-07-05 EP claimed
CN-113214220-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
CN-112358479-B Synthesis method of pyrrolo [3,4-c ] quinoline-1, 3-dione compound 西北师范大学 2023-06-16 CN disclosed
CN-113784969-A PLK1 Selective degradation inducing Compounds 厄普特拉公司 2021-12-10 CN disclosed
CN-113164775-A Polycyclic compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides 阿尔维纳斯运营股份有限公司 2021-07-23 CN disclosed
CN-112358479-A Synthesis method of pyrrolo [3,4-c ] quinoline-1, 3-diketone compound 西北师范大学 2021-02-12 CN disclosed
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-9289378-B2 Antimicrobial amorphous compositions AVENT, INC. (US) 2016-03-22 US disclosed
EP-2789235-B1 Method of preparing silver nanoparticles AVENT INC (US) 2015-12-23 EP disclosed
EP-1507778-A4 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2006-05-31 EP disclosed
EP-1507778-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES LA TROBE UNIVERSITY (AU) 2005-02-23 EP disclosed
WO-2003097642-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES LA TROBE UNIVERSITY (AU) 2003-11-27 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed
EP-0480939-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1992-04-22 EP disclosed
EP-0296048-A1 Derivatives of piperazinyl alkyl piperazine dione, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-12-21 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 (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-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 CYP1A2 3226/4885CYP2A6 1650/4885MAOA 2338/4885

“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.