SCHEMBL5339048

SCHEMBL5339048

CCn1cc(C2=C(C3=COc4ccccc4O3)C(=O)N(C)C2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
CCNT1 O60563 5/20 0.53
CDK9 P50750 5/20 0.53
CAMK2D Q13557 2/20 0.47
RPS6KB1 P23443 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
IDH1 O75874 1/20 0.37

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
SCHEMBL5341440 0.86 CCNT1 (0.53) SIRT2CCNT1CDK9CCNA2CDK2
SCHEMBL5333904 0.82 SIRT2 (0.44) SIRT2CCNT1CDK9CAMK2DRPS6KB1
SCHEMBL5334741 0.74 SIRT2 (0.67) SIRT2CCNT1CDK9CAMK2DRPS6KB1
SCHEMBL5337356 0.73 SIRT2 (0.42) SIRT2CCNT1CDK9CAMK2DRPS6KB1
SCHEMBL5341756 0.70 SIRT2 (0.38) SIRT2
SCHEMBL5339288 0.69 MAOB (0.38) SIRT2MEN1KMT2A
SCHEMBL28661599 0.69 CCNT1 (0.64) SIRT2CCNT1CDK9CAMK2DRPS6KB1
SCHEMBL5334873 0.67 SIRT2 (0.50) SIRT2RPS6KB1CDK2
SCHEMBL5340128 0.67 SIRT2 (0.50) SIRT2CCNT1CDK9CAMK2DRPS6KB1
SCHEMBL27868039 0.67 SIRT2 (0.66) SIRT2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 US disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-02-23 US disclosed
EP-1587810-A1 NOVEL SUBSTITUTED 1,4]BENZODIOXINO 2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-10-26 EP disclosed
WO-2004037831-A1 NOVEL SUBSTITUTED[1,4]BENZODIOXINO[2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-06 WO 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-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same CYP11B2, CYP2F1, CYP3A43 SIRT2 2042/4885CCNT1 574/4885CDK9 3413/4885

“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.