SCHEMBL5334741

SCHEMBL5334741

CN1C(=O)C(C2=COc3ccccc3O2)=C(c2c[nH]c3ccccc23)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.67
SIRT1 Q96EB6 1/20 0.67
RPS6KB1 P23443 1/20 0.48
PIM1 P11309 3/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
PRKCB P05771 6/20 0.44
PRKCA P17252 4/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44
PRKCH P24723 3/20 0.44
PRKCE Q02156 3/20 0.44
PRKCQ Q04759 3/20 0.44
PRKCD Q05655 3/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 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
Tert-Butyl Formate SCHEMBL27632220 0.90 SIRT2 (0.55) SIRT2SIRT1RPS6KB1PIM1CCNT1
SCHEMBL5340128 0.87 SIRT2 (0.50) SIRT2SIRT1RPS6KB1PIM1CCNT1
SCHEMBL5334873 0.87 SIRT2 (0.50) SIRT2SIRT1RPS6KB1CDK4CCND1
SCHEMBL30958473 0.82 SIRT2 (1.00) SIRT2SIRT1RPS6KB1PIM1CCNT1
SCHEMBL3945882 0.82 SIRT2 (1.00) SIRT2SIRT1RPS6KB1PIM1CCNT1
SCHEMBL5341440 0.78 CCNT1 (0.53) SIRT2PIM1CCNT1CDK9PRKCA
SCHEMBL7822758 0.75 SIRT2 (0.69) SIRT2SIRT1RPS6KB1PIM1CCNT1
Tert-Butyl Formate SCHEMBL27613146 0.75 ALDH1A1 (0.40) SIRT2SIRT1CDK4CCND1PRKACA
SCHEMBL5339048 0.74 SIRT2 (0.53) SIRT2RPS6KB1CCNT1CDK9CDK2
SCHEMBL5333621 0.74 PRKCB (0.59) SIRT2PIM1PRKCBPRKCACDK4

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 7 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
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 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
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 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 2042/4885SIRT1 2459/4885RPS6KB1 1490/4885

“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.