SCHEMBL2471546

SCHEMBL2471546

COC(=O)C(=[N+]=[N-])C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL31619417 0.87 ALDH1A1 (0.35) ALDH1A1EGLN1
SCHEMBL3536872 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL21594961 0.83 ALDH1A1 (0.32) ALDH1A1TET2EGLN1
SCHEMBL28746307 0.81 ALDH1A1 (0.31) ALDH1A1TET2EGLN1
SCHEMBL884967 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23391871 0.79 MGAM (0.39) ALDH1A1
SCHEMBL4976326 0.79 MGAM (0.39) ALDH1A1TET2TSHR
SCHEMBL19677667 0.79 EGLN1 (0.38) ALDH1A1EGLN1TSHR
SCHEMBL14337086 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29127995 0.75 CES1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420456-A Method for preparing 2, 2-dimethyl difluoromalonate by flow chemistry 上海友直医药科技有限公司 2024-08-02 CN claimed
EP-4720067-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY Recursion Pharmaceuticals, Inc. (US) 2026-04-08 EP disclosed
US-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2026-03-10 US disclosed
US-12503438-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2025-12-23 US disclosed
US-20250221966-A1 RXFP1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-07-10 US disclosed
WO-2025073822-A1 STRAINED MULTI-FUNCTIONALIZED TRANS-CYCLOOCTENES STICHTING RADBOUD UNIVERSITEIT (NL) 2025-04-10 WO disclosed
WO-2024246559-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY EXSCIENTIA AI LIMITED (GB) 2024-12-05 WO disclosed
EP-4422746-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
CN-118420456-A Method for preparing 2, 2-dimethyl difluoromalonate by flow chemistry 上海友直医药科技有限公司 2024-08-02 CN disclosed
US-20240254146-A1 FLUORINATED POLY(PYRIDYL)-BORATE LIGANDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-08-01 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
US-20050010059-A1 Chemical reagents capable of selective attachment to and reaction with peptides and proteins CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-01-13 US disclosed
EP-1178968-A4 A PROCESS FOR THE REDUCTION OF OXIRANYL EPOTHILONES TO OLEFINIC EPOTHILONES BRISTOL MYERS SQUIBB CO (US) 2002-06-19 EP disclosed
EP-1178968-A1 A PROCESS FOR THE REDUCTION OF OXIRANYL EPOTHILONES TO OLEFINIC EPOTHILONES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-13 EP disclosed
US-6320045-B1 REDUCTION WITH A METAL, METALLOCENE OR METAL-ASSISTED REAGENT, E.G., DIMETHYL DIAZOMALONATE ACTIVATED BY A RHODIUM CATALYST BRISTOL-MYERS SQUIBB COMPANY 2001-11-20 US disclosed
WO-2000071521-A1 A PROCESS FOR THE REDUCTION OF OXIRANYL EPOTHILONES TO OLEFINIC EPOTHILONES BRISTOL-MYERS SQUIBB CO. (US) 2000-11-30 WO disclosed
EP-0222703-A1 Hexahydro-[1]-benzo-(pyrano and thiopyrano)-[4,3-c] pyridines CIBA-GEIGY AG (CH) 1987-05-20 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 (6 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-20050010059-A1 Chemical reagents capable of selective attachment to and reaction with peptides and proteins PTMS, FGB, DNPEP ALDH1A1 4309/4885TET2 4620/4885EGLN1 3959/4885
US-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof IKZF1, IKZF2, BCL6 ALDH1A1 2574/4885TET2 3651/4885EGLN1 1186/4885
US-20250221966-A1 RXFP1 AGONISTS RXFP1, RXFP2, RXFP3 ALDH1A1 1820/4885TET2 4574/4885EGLN1 1868/4885
US-12503438-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, PTK2B ALDH1A1 3579/4885TET2 4113/4885EGLN1 1771/4885
US-20240254146-A1 FLUORINATED POLY(PYRIDYL)-BORATE LIGANDS PARG, PARN, PCBP1 ALDH1A1 4502/4885TET2 3190/4885EGLN1 4716/4885
US-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 ALDH1A1 219/4885TET2 796/4885EGLN1 3118/4885

“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.