SCHEMBL657966

SCHEMBL657966

O=C(O)CC(CC(=O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
ATM Q13315 2/20 0.51
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
PTPN1 P18031 2/20 0.51
GABBR2 O75899 4/20 0.49
GABBR1 Q9UBS5 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL17461313 0.86 MEN1 (0.50) MEN1KMT2AFNTAFNTBATM
SCHEMBL16616451 0.84 ATM (0.68) MEN1KMT2AATMPTPN1GABBR2
SCHEMBL659329 0.83 PDPK1 (0.61) MEN1KMT2AFNTAFNTBATM
SCHEMBL14691472 0.82 MEN1 (0.54) MEN1KMT2AFNTAFNTBGABBR2
SCHEMBL657730 0.79 MEN1 (0.63) MEN1KMT2AATMERCC5FEN1
SCHEMBL9066674 0.79 ATM (0.74) MEN1KMT2AATMPTPN1GABBR2
SCHEMBL12373170 0.78 MEN1 (0.55) MEN1KMT2AATMERCC5FEN1
SCHEMBL12158734 0.78 MEN1 (0.66) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL8869652 0.78 MEN1 (0.56) MEN1KMT2AFNTAFNTBALDH1A1
SCHEMBL28731474 0.78 L3MBTL1 (0.64) MEN1KMT2AATMPTPN1GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US 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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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
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
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 MEN1 2058/4885KMT2A 1777/4885FNTA 944/4885

“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.