SCHEMBL5333886

SCHEMBL5333886

Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FEN1 P39748 1/20 0.38
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
MPO P05164 2/20 0.37
KEAP1 Q14145 1/20 0.36

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
SCHEMBL5334001 0.91 CDK2 (0.46) CDK5CDK5R1CDK4CCND1RXFP1
SCHEMBL5347369 0.86 CDK5 (0.48) CDK5CDK5R1
SCHEMBL5337995 0.86 MPO (0.45) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL5337910 0.86 MAP3K11 (0.46) CDK5CDK5R1KDM4EALDH1A1HTT
SCHEMBL5332887 0.83 CDK5 (0.46) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL5344922 0.80 CDK5 (0.48) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL5341285 0.77 MPO (0.39) CDK4CCND1RXFP1PPARGNPSR1
SCHEMBL5336160 0.74 CCNE2 (0.47) CDK5CDK5R1KDM4EALDH1A1CDK4
SCHEMBL5337243 0.73 CDK5 (0.42) CDK5CDK5R1MPO
SCHEMBL5334652 0.71 MPO (0.50) KDM4EALDH1A1CDK4CCND1MPO

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 8 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 claimed
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 claimed
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 claimed
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 CDK5 1566/4885CDK5R1 1020/4885KDM4E 4183/4885

“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.