SCHEMBL5332887

SCHEMBL5332887

O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CHEK1 O14757 4/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CAMK2B Q13554 1/20 0.39

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
SCHEMBL5336160 0.90 CCNE2 (0.47) CDK5CDK5R1CHEK1KDM4EALDH1A1
SCHEMBL5343061 0.85 CHEK1 (0.59) CDK5CDK5R1CHEK1GAA
SCHEMBL5333886 0.83 CDK5 (0.43) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL5879244 0.79 CHEK1 (0.59) CDK5CDK5R1CHEK1KDM4EALDH1A1
SCHEMBL5334145 0.78 CDK5 (0.52) CDK5CDK5R1CHEK1
SCHEMBL5339297 0.77 CHEK1 (0.57) CDK5CDK5R1CHEK1CCNE2CDK4
SCHEMBL5337995 0.77 MPO (0.45) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL5334001 0.74 CDK2 (0.46) CDK5CDK5R1CDC25ACDC25CLMNA
SCHEMBL5347369 0.69 CDK5 (0.48) CDK5CDK5R1CHEK1
SCHEMBL5341285 0.68 MPO (0.39) CCNE2CDK4CCND1CCNE1CDK2

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 CDK5 1566/4885CDK5R1 1020/4885CHEK1 4285/4885

“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.