SCHEMBL656746

SCHEMBL656746

O=C(O)CC(CC(=O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.49
ABCC1 P33527 5/20 0.49
KCNMA1 Q12791 1/20 0.49
FNTA P49354 6/20 0.48
FNTB P49356 6/20 0.48
APP P05067 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
PRKCZ Q05513 1/20 0.46

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
SCHEMBL657564 0.85 FNTA (0.61) FNTAFNTBKDM4E
SCHEMBL29007522 0.78 ABCC1 (0.62) ABCB1ABCC1KCNMA1APP
SCHEMBL658063 0.74 FNTA (0.58) FNTAFNTBKDM4ERECQL
SCHEMBL17457463 0.73 ABCB1 (0.69) ABCB1ABCC1KCNMA1APP
SCHEMBL17457465 0.73 ABCB1 (0.69) ABCB1ABCC1KCNMA1APP
SCHEMBL657106 0.73 KDM4E (0.59) FNTAFNTBKDM4ERECQL
SCHEMBL658338 0.73 POLB (0.62) KCNMA1FNTAFNTBKDM4ERECQL
SCHEMBL20537733 0.71 APP (0.63) KCNMA1APPKDM4E
SCHEMBL2645986 0.71 ABCB1 (0.66) ABCB1ABCC1KCNMA1KDM4E
SCHEMBL17356383 0.71 FNTA (0.84) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ABCB1 2426/4885ABCC1 2842/4885KCNMA1 1122/4885

“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.