SCHEMBL5333904

SCHEMBL5333904

CN1C(=O)C(C2=COc3ccccc3O2)=C(c2cn(C(=O)O)c3ccccc23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.44
CCNT1 O60563 5/20 0.40
CDK9 P50750 5/20 0.40
CAMK2D Q13557 2/20 0.40
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3B P49841 3/20 0.34
BRPF1 P55201 1/20 0.34
CREBBP Q92793 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
HTR6 P50406 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5337356 0.91 SIRT2 (0.42) SIRT2CCNT1CDK9CAMK2DCDK2
SCHEMBL5341440 0.85 CCNT1 (0.53) SIRT2CCNT1CDK9CDK2CCNA2
SCHEMBL5339288 0.83 MAOB (0.38) SIRT2
SCHEMBL5341756 0.83 SIRT2 (0.38) SIRT2
SCHEMBL5339048 0.82 SIRT2 (0.53) SIRT2CCNT1CDK9CAMK2DCDK2
SCHEMBL6575073 0.76 SIRT2 (0.49) SIRT2CCNT1CDK9CAMK2DCDK2
SCHEMBL5334741 0.73 SIRT2 (0.67) SIRT2CCNT1CDK9CAMK2DCDK2
SCHEMBL5337035 0.71 GHSR (0.34)
SCHEMBL5347008 0.71 GHSR (0.33)
SCHEMBL6575546 0.69 PIM1 (0.53) SIRT2CCNT1CDK9CAMK2DCDK2

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.