SCHEMBL5337989

SCHEMBL5337989

CN1C(=O)C(Br)=C(c2cn(C(=O)O)c3cc(OCc4ccccc4)ccc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MAOB P27338 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GSTP1 P09211 1/20 0.39
P2RY14 Q15391 1/20 0.39
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MDH2 P40926 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
GRM5 P41594 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL5334606 0.92 MAOB (0.44) SRD5A2SIRT2MAOBGSTP1NPC1
SCHEMBL5340172 0.85 GHSR (0.36) SRD5A2MAOBCNR1CNR2P2RY14
SCHEMBL5341756 0.81 SIRT2 (0.38) SRD5A2SIRT2MAOBCNR1CNR2
SCHEMBL6575073 0.80 SIRT2 (0.49) SIRT2
SCHEMBL5344531 0.77 GHSR (0.38) SRD5A2MAOBNPC1RAB9AMEN1
SCHEMBL5332724 0.77 ALDH1A1 (0.52) SIRT2MAOBACHEALDH1A1HPGD
SCHEMBL5339384 0.75 HTR1D (0.48) SIRT2MAOBACHEMEN1KMT2A
SCHEMBL22616717 0.74 PDE10A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL29465572 0.74 PDE10A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL5339288 0.74 MAOB (0.38) SRD5A2SIRT2MAOBNPC1RAB9A

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 5 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
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 SRD5A2 186/4885SIRT2 2042/4885MAOB 71/4885

“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.