SCHEMBL658063

SCHEMBL658063

O=C(O)CC(CC(=O)Nc1ccc(Cl)cc1O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.58
FNTB P49356 8/20 0.58
GABBR2 O75899 3/20 0.51
GABBR1 Q9UBS5 3/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD3 P35462 1/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL658338 0.91 POLB (0.62) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL17356383 0.80 FNTA (0.84) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL657106 0.78 KDM4E (0.59) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL391659 0.78 GABBR2 (0.79) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL28014207 0.76 GABBR2 (0.76) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL656746 0.74 ABCB1 (0.49) FNTAFNTBKDM4ERECQL
SCHEMBL7807800 0.74 FNTA (0.69) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL31661644 0.73 POLB (0.56) MEN1KMT2APOLBKDM4EALOX15
SCHEMBL5655283 0.73 POLB (0.56) MEN1KMT2APOLBKDM4EALOX15
SCHEMBL13593325 0.72 POLB (0.55) MEN1KMT2APOLBKDM4EALOX15

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 1890/4885GABBR2 4480/4885

“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.