SCHEMBL3266154

SCHEMBL3266154

COC(=O)CNC(Cc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.45
ITGB7 P26010 5/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL3266156 1.00 ITGA4 (0.45) ITGA4ITGB7GAAMEN1KMT2A
SCHEMBL28774120 0.84 ITGA4 (0.47) ITGA4ITGB7MEN1KMT2ALMNA
SCHEMBL28774119 0.84 ITGA4 (0.47) ITGA4ITGB7MEN1KMT2ALMNA
SCHEMBL27549589 0.83 MEN1 (0.47) GAAMEN1KMT2ALMNAMAPT
SCHEMBL13398403 0.83 MEN1 (0.47) GAAMEN1KMT2ALMNAMAPT
SCHEMBL9925979 0.83 LMNA (0.50) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL10086332 0.83 LMNA (0.50) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL28774123 0.83 ITGA4 (0.47) ITGA4ITGB7MEN1KMT2ALMNA
SCHEMBL28774121 0.83 ITGA4 (0.47) ITGA4ITGB7MEN1KMT2ALMNA
SCHEMBL6806963 0.82 ITGA4 (0.59) ITGA4ITGB7MEN1KMT2A

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
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
EP-1438299-B1 BIFUNCTIONAL CHELATING AGENT FOR ACTINIUM EUROP ECONOMIC COMMUNITY (BE) 2010-06-02 EP disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 WO disclosed
US-7132513-B2 Bifunctional chelating agent EUROPEAN COMMUNITY (BE) 2006-11-07 US disclosed
US-7045606-B2 Chelate compound containing ligand with steroids, enzymes, hapten and antibodies EUROPEAN COMMUNITY (BE) 2006-05-16 US disclosed
EP-0770610-B1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 2005-07-06 EP disclosed
US-20040242852-A1 Bifunctional chelating agent for actinium EUROPEAN COMMUNITY (BE) 2004-12-02 US disclosed
EP-1438299-A1 BIFUNCTIONAL CHELATING AGENT FOR ACTINIUM EUROPEAN COMMUNITY (BE) 2004-07-21 EP disclosed
WO-2003024940-A1 BIFUNCTIONAL CHELATING AGENT FOR ACTINIUM EUROPEAN COMMUNITY (BE) 2003-03-27 WO disclosed
US-20030027302-A1 Bifunctional chelating agent INSERM INSTITUT NATIOANL DE LA SANTE ET DE LA REOHERCHE MEDICALE (FR) 2003-02-06 US disclosed
EP-1263741-A1 BIFUNCTIONAL CHELATING AGENT EUROPEAN COMMUNITY (BE) 2002-12-11 EP disclosed
WO-2001068618-A1 BIFUNCTIONAL CHELATING AGENT EUROPEAN COMMUNITY (BE) 2001-09-20 WO disclosed
US-5859215-A IMMUNOASSAY; DNA HYBRID ANALYSIS; COMPLEXING; MEDICAL DIAGNOSIS WALLAC OY (FI) 1999-01-12 US disclosed
EP-0770610-A1 Biospecific binding reactants labelled with luminescent lanthanide chelates and their use WALLAC OY (FI) 1997-05-02 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 (3 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ ITGA4 2423/4885ITGB7 1718/4885GAA 49/4885
US-20030027302-A1 Bifunctional chelating agent H1-2, H1-0, H1-5 ITGA4 2487/4885ITGB7 2947/4885GAA 2121/4885
US-20040242852-A1 Bifunctional chelating agent for actinium SHBG, H1-5, CXXC5 ITGA4 2102/4885ITGB7 2535/4885GAA 1212/4885

“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.