SCHEMBL5031312

SCHEMBL5031312

O=C1c2cccnc2C(=O)N1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP2 O95551 1/20 0.52
NSD2 O96028 1/20 0.52
ABL1 P00519 1/20 0.52
PLCG1 P19174 1/20 0.52
CES1 P23141 1/20 0.52
PAX8 Q06710 1/20 0.52
RIN1 Q13671 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL30447750 1.00 MEN1 (0.52) MEN1KMT2ATDP2NSD2ABL1
SCHEMBL12879746 0.76 ALDH1A1 (0.54) MEN1KMT2ATDP2NSD2ABL1
SCHEMBL11867527 0.76 KDM4E (0.63) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL28387699 0.75 CA9 (0.44) MEN1KMT2ATDP2NSD2ABL1
SCHEMBL13495402 0.73 CYP2D6 (0.50) MEN1KMT2ATDP2NSD2ABL1
SCHEMBL710689 0.73 ERCC1 (0.62) MEN1KMT2ATDP2TDP1KDM4E
SCHEMBL29361703 0.73 ERCC1 (0.62) MEN1KMT2ATDP2TDP1KDM4E
SCHEMBL1410 0.73 ERCC1 (0.62) MEN1KMT2ATDP2TDP1KDM4E
SCHEMBL14884702 0.72 KDM4E (0.74) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8244207 0.72 SMN1; SMN2 (0.48) MEN1KMT2ATDP2NSD2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638565-A Method for preparing benzoic acid by oxidizing toluene at room temperature 中山大学 2025-03-18 CN claimed
CN-111393397-B Preparation method of 2, 5-furandicarboxylic acid 中国科学院大连化学物理研究所 2022-04-29 CN claimed
CN-119638565-A Method for preparing benzoic acid by oxidizing toluene at room temperature 中山大学 2025-03-18 CN disclosed
WO-2023211710-A1 METAL-FREE PROCESS FOR HYDROGEN PEROXIDE PRODUCTION PORTLAND STATE UNIVERSITY (US) 2023-11-02 WO disclosed
CN-112358380-B Synthesis method of 4- (4' -alkylcyclohexyl) cyclohexanol 惠泽化学科技(濮阳)有限公司 2023-03-31 CN disclosed
CN-111393397-B Preparation method of 2, 5-furandicarboxylic acid 中国科学院大连化学物理研究所 2022-04-29 CN disclosed
CN-112358380-A Synthesis method of 4- (4' -alkylcyclohexyl) cyclohexanol 惠泽化学科技(濮阳)有限公司 2021-02-12 CN disclosed
CN-112110820-A Method for producing higher-valent iodine compound 帝斯曼知识产权资产管理有限公司 2020-12-22 CN disclosed
CN-109553566-B Anti-counterfeiting material with adjustable imaging waveband and preparation method and application thereof 北京化工大学 2020-05-01 CN disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 WO disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS MEN1 585/4885KMT2A 2284/4885TDP2 2315/4885

“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.