SCHEMBL5346736

SCHEMBL5346736

CN1C(=O)c2c(Oc3ccccc3OS(=O)(=O)C(F)(F)F)cc3[nH]c4ccccc4c3c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.38
PARP1 P09874 1/20 0.37
AHR P35869 1/20 0.35
PRKCA P17252 3/20 0.34
BRD4 O60885 1/20 0.34
ROCK2 O75116 1/20 0.33
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 1/20 0.33
NQO1 P15559 1/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 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
SCHEMBL5342513 0.83 ABCG2 (0.47) ABCG2PARP1PRKCAROCK2CDK4
SCHEMBL5337935 0.82 PARP1 (0.41) ABCG2PARP1AHRPRKCAROCK2
SCHEMBL5345854 0.73 WEE1 (0.49) PRKCACDK4
SCHEMBL5339304 0.73 CHEK1 (0.49) ROCK2CDK4CCND1PRKACAPRKACG
SCHEMBL31271695 0.73 IMPDH2 (0.46) ABCG2PARP1GABRPGABRDGABRA1
SCHEMBL2181616 0.73 IMPDH2 (0.46) ABCG2PARP1GABRPGABRDGABRA1
SCHEMBL13813797 0.68 HPGD (0.47) ABCG2
SCHEMBL5438544 0.66 PRKCA (0.71) PARP1PRKCAROCK2MAP3K9MAP3K11
SCHEMBL29940531 0.66 KIF11 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29895701 0.66 KIF11 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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 2 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
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 ABCG2 204/4885PARP1 3320/4885AHR 336/4885

“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.