SCHEMBL656829

SCHEMBL656829

O=C(O)CN(C(=O)Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.52
HDAC1 Q13547 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
CNR1 P21554 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PTPN1 P18031 1/20 0.45
PTGIR P43119 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27983581 0.94 CNR2 (0.52) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL657435 0.85 HDAC1 (0.56) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL656591 0.83 CNR2 (0.52) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL10660695 0.81 BACE1 (0.52) L3MBTL1MAPTPTGIRNPC1ALDH1A1
SCHEMBL15438012 0.81 L3MBTL1 (0.58) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL3846324 0.81 CNR2 (0.52) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL21800137 0.80 KMT2A (0.56) CNR2CNR1L3MBTL1MAPTTDP1
SCHEMBL10540940 0.79 NPSR1 (0.45) L3MBTL1MAPTLTB4R2NPC1ALDH1A1
SCHEMBL657249 0.78 CNR2 (0.56) CNR2HDAC1HDAC6CNR1HDAC3
SCHEMBL10354602 0.78 CYP1A2 (0.55) MAPTTDP1PTGIRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US 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-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
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 CNR2 4264/4885HDAC1 2479/4885HDAC6 1601/4885

“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.