SCHEMBL5333498

SCHEMBL5333498

CN(C)CCn1c(=O)c2c3oc4ccccc4[nH]c3c3oc4ccccc4oc3c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.44
HAVCR2 Q8TDQ0 1/20 0.44
XDH P47989 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
OGT O15294 1/20 0.36
CDK4 P11802 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCND1 P24385 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAP3K11 Q16584 2/20 0.33
NR4A1 P22736 1/20 0.33
MAP3K9 P80192 1/20 0.33
TOP2A P11388 1/20 0.33
MEN1 O00255 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
SCHEMBL5334652 0.88 MPO (0.50) MPOHAVCR2XDHALDH1A1KDM4E
SCHEMBL5334022 0.84 KDM4E (0.47) MPOHAVCR2ALDH1A1KDM4EHPGD
SCHEMBL5226351 0.82 MPO (0.40) MPOHAVCR2MYLK
Hydrochloric Acid SCHEMBL5412040 0.82 MPO (0.40) MPOHAVCR2XDHMYLK
SCHEMBL5341285 0.80 MPO (0.39) MPOHAVCR2XDHCDK4PRKACA
SCHEMBL5337995 0.80 MPO (0.45) MPOHAVCR2XDHALDH1A1KDM4E
SCHEMBL5337243 0.80 CDK5 (0.42) MPOHAVCR2MYLK
SCHEMBL5337017 0.80 CDK5 (0.42) MPOHAVCR2CDK4PRKACAPRKACG
SCHEMBL5334632 0.75 CDK4 (0.44) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL5228985 0.75 MAOA (0.35) MPOHAVCR2SIGMAR1

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

“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.