SCHEMBL4388219

SCHEMBL4388219

NCC(N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX2 P34913 1/20 0.43
HTR2A P28223 1/20 0.42
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL28719512 1.00 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL1808220 0.89 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL27587878 0.89 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL27587876 0.89 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL29468874 0.87 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724920 0.87 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL28215472 0.87 FABP5 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL1000148 0.87 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL1000147 0.87 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL27724921 0.87 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510352-A Synthesis method of D-2, 3-diaminopropionic acid 浙江永太科技股份有限公司 2024-02-06 CN disclosed
WO-2023060074-A1 A LIVE CELL ASSAY TO DETERMINE PERMEABILITY OF TEST MOLECULES TO AND/OR WITHIN THE PEPTIDOGLYCAN SCAFFOLD OF BACTERIA CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-04-13 WO disclosed
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
US-6759424-B2 2,5-DIOXOIMIDAZOLIDINE OR 2-THIO-5-OXOIMIDAZOLIDINE DERIVATIVES SUITABLE FOR THE THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
US-6660832-B1 Cyclic peptide compounds with fused benzene rings; solid phase synthesis thereof; use as antibiotic to treat bacterial infection in mammals; may work by binding to RNA targets ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
CN-1125054-C Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMACEUTICS GMBH (DE) 2003-10-22 CN disclosed
US-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-03 US disclosed
US-6423712-B1 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-23 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO disclosed
CN-1218047-A Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 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-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them VCAM1, ITGA1, ITGA4 KMT2A 1175/4885FABP5 2608/4885FABP7 4223/4885

“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.