SCHEMBL658905

SCHEMBL658905

CCOC(=O)CC(c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.43
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL658906 0.91 SIRT2 (0.47) F9ALOX15SIRT2SIRT1SIRT3
SCHEMBL2302338 0.85 PRKCZ (0.46) F9KMT2AGAAMEN1LMNA
Hydrochloric Acid SCHEMBL658248 0.83 PRKCZ (0.45) F9KMT2AGAAMEN1LMNA
SCHEMBL4923429 0.79 ALDH1A1 (0.44) F9ALOX15KMT2AGAAOPRM1
SCHEMBL4148785 0.78 MAPT (0.42) ALOX15KMT2ASIRT2SIRT1SIRT3
SCHEMBL10908208 0.78 ALDH1A1 (0.51) KMT2AGAAALDH1A1KDM4EMEN1
SCHEMBL2302345 0.75 PRKCZ (0.57) GAAALDH1A1TDP1CYP1A2HSD17B10
SCHEMBL5104211 0.72 SCN10A (0.45) KMT2AOPRM1OPRD1CTDSP1ALDH1A1
SCHEMBL19863782 0.72 CYP1A2 (0.39) ALOX15KMT2ASIRT2SIRT1SIRT3
SCHEMBL5794188 0.71 SCN10A (0.45) KMT2ASIRT1CYP1A2HSD17B10PRKCZ

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 F9 4677/4885ALOX15 4811/4885KMT2A 1777/4885

“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.