SCHEMBL5337995

SCHEMBL5337995

CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.45
XDH P47989 3/20 0.43
HAVCR2 Q8TDQ0 1/20 0.40
PLK1 P53350 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TERT O14746 2/20 0.36
PADI4 Q9UM07 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PRNP P04156 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34

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
SCHEMBL5341285 0.92 MPO (0.39) MPOXDHHAVCR2PLK1PADI4
SCHEMBL5337243 0.89 CDK5 (0.42) MPOHAVCR2CDK5CDK5R1
SCHEMBL5334652 0.88 MPO (0.50) MPOXDHHAVCR2ALDH1A1CDK4
SCHEMBL5333886 0.86 CDK5 (0.43) MPOCDK5CDK5R1RXFP1PRNP
SCHEMBL5337017 0.83 CDK5 (0.42) MPOHAVCR2CDK5CDK5R1CDK4
SCHEMBL5333498 0.80 MPO (0.44) MPOXDHHAVCR2ALDH1A1CDK4
SCHEMBL5334632 0.78 CDK4 (0.44) CDK4CCND1
SCHEMBL5334001 0.77 CDK2 (0.46) CDK5CDK5R1RXFP1CDK4CCND1
SCHEMBL5332887 0.77 CDK5 (0.46) CDK5CDK5R1RXFP1ALDH1A1CDK4
SCHEMBL11730676 0.76 MPO (0.50) MPOXDHHAVCR2PLK1TERT

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 MPO 1481/4885XDH 72/4885HAVCR2 4286/4885

“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.