SCHEMBL438741

SCHEMBL438741

Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
CYP3A4 P08684 3/20 0.50
MAOA P21397 4/20 0.49
MAOB P27338 3/20 0.49
HSP90AA1 P07900 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 5/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.40

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
SCHEMBL30577139 1.00 TDP1 (0.50) TDP1CYP3A4MAOAMAOBHSP90AA1
SCHEMBL787009 1.00 TDP1 (0.50) TDP1CYP3A4MAOAMAOBHSP90AA1
SCHEMBL772678 0.86 CYP3A4 (0.59) TDP1CYP3A4MAOAMAOBCYP1A2
SCHEMBL9354434 0.80 ALDH1A1 (0.58) TDP1CYP3A4HSP90AA1CDK5CDK5R1
SCHEMBL10339388 0.80 ALDH1A1 (0.58) TDP1CYP3A4HSP90AA1CDK5CDK5R1
SCHEMBL3975452 0.79 MAPT (0.56) TDP1CYP3A4HSP90AA1CDK5CDK5R1
SCHEMBL3870583 0.78 TDP1 (0.52) TDP1CYP3A4MAOAMAOBCYP1A2
SCHEMBL441279 0.78 TDP1 (0.47) TDP1CYP3A4HSP90AA1CDK5CDK5R1
SCHEMBL24414604 0.77 MAOA (0.50) TDP1CYP3A4MAOAMAOBHSP90AA1
SCHEMBL421305 0.77 CYP3A4 (0.50) TDP1CYP3A4MAOAMAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2025-06-26 US disclosed
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-04-22 US disclosed
EP-4520751-A1 METHOD FOR RAPID OXIDATION OF DIHYDROPYRIDAZINES TO PYRIDAZINES University of Copenhagen (DK) 2025-03-12 EP disclosed
EP-4490136-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE University of Copenhagen (DK) 2025-01-15 EP disclosed
WO-2023170174-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 EP disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
CN-113474340-A Novel isoindolinone substituted indoles and derivatives as RAS inhibitors 勃林格殷格翰国际有限公司 2021-10-01 CN disclosed
EP-2066673-B1 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE CORP (US) 2016-12-28 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20100273763-A1 ORGANOMETALLIC COMPLEXES AS THERAPEUTIC AGENTS WOMEN & INFANTS HOSPITAL (US) 2010-10-28 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
EP-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008070557-A2 ORGANOMETALLIC COMPLEXES AS THERAPEUTIC AGENTS WOMEN & INFANTS HOSPITAL (US) 2008-06-12 WO disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 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 (5 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-20100273763-A1 ORGANOMETALLIC COMPLEXES AS THERAPEUTIC AGENTS SCLY, SALL4, AS3MT TDP1 3361/4885CYP3A4 1236/4885MAOA 2645/4885
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors NRAS, KRAS, RASSF5 TDP1 2732/4885CYP3A4 2714/4885MAOA 1723/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP TDP1 376/4885CYP3A4 1201/4885MAOA 1818/4885
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS NRAS, RASSF5, KRAS TDP1 2788/4885CYP3A4 2682/4885MAOA 2014/4885
US-20250205374-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE ALDH3A1, SQLE, DUOX1 TDP1 2846/4885CYP3A4 544/4885MAOA 1942/4885

“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.