SCHEMBL5339752

SCHEMBL5339752

CN1C(=O)C(Br)=C(c2c[nH]c3cc(F)ccc23)C1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CCNE2 O96020 1/20 0.51
CDK4 P11802 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
TDO2 P48775 17/20 0.50
HTR6 P50406 1/20 0.45
IDO1 P14902 1/20 0.43

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
SCHEMBL8317402 0.90 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL5333444 0.90 SIRT2 (0.52) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL5343477 0.81 SIRT2 (0.80) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL20624204 0.79 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL7195501 0.79 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL14440430 0.79 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL7193750 0.77 SIRT2 (0.54) SIRT2SIRT1HTR6IDO1
SCHEMBL5339298 0.77 CDK4 (0.57) SIRT2CCNE2CDK4PRKACAPRKACG
SCHEMBL5332724 0.75 ALDH1A1 (0.52) SIRT2SIRT1CDK4CCND1
SCHEMBL5334873 0.74 SIRT2 (0.50) SIRT2SIRT1CCNE2CDK4PRKACA

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 3 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

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 2042/4885SIRT1 2459/4885CCNE2 558/4885

“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.