SCHEMBL657564

SCHEMBL657564

O=C(O)CC(CC(=O)Nc1ccc(Oc2ccccc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.61
FNTB P49356 16/20 0.61
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL656746 0.85 ABCB1 (0.49) FNTAFNTBKDM4E
SCHEMBL655571 0.80 FNTA (0.93) FNTAFNTB
SCHEMBL11660364 0.74 MAPT (0.54) MAPTMAPK1NPC1POLBRAB9A
SCHEMBL3007692 0.73 RAB9A (0.60) MAPTMAPK1NPC1POLBRAB9A
SCHEMBL29154379 0.72 FNTA (0.62) FNTAFNTBL3MBTL1
SCHEMBL658063 0.72 FNTA (0.58) FNTAFNTBMAPK1POLBKDM4E
SCHEMBL657106 0.71 KDM4E (0.59) FNTAFNTBKDM4E
SCHEMBL658338 0.71 POLB (0.62) FNTAFNTBMAPK1POLBKDM4E
SCHEMBL11005517 0.69 MEN1 (0.66) MAPTMAPK1NPC1POLBRAB9A
SCHEMBL20537733 0.69 APP (0.63) MAPTMAPK1NPC1POLBRAB9A

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 6 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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO 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 FNTA 944/4885FNTB 1890/4885MAPT 964/4885

“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.