SCHEMBL5334606

SCHEMBL5334606

CN1C(=O)C(Br)=C(c2cn(C(=O)O)c3ccc(OCc4ccccc4)cc23)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
SRD5A2 P31213 1/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
AS3MT Q9HBK9 1/20 0.39
PPARG P37231 2/20 0.39
HTR6 P50406 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GSTP1 P09211 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL5337989 0.92 SRD5A2 (0.41) MAOBSRD5A2MEN1NPC1RAB9A
SCHEMBL5344531 0.85 GHSR (0.38) MAOBSRD5A2MEN1NPC1RAB9A
SCHEMBL5339288 0.81 MAOB (0.38) MAOBSRD5A2MEN1NPC1RAB9A
SCHEMBL6575073 0.80 SIRT2 (0.49) HTR6SIRT2
SCHEMBL28131735 0.79 SRD5A2 (0.48) MAOBSRD5A2MEN1NPC1RAB9A
SCHEMBL5340172 0.77 GHSR (0.36) MAOBSRD5A2LTB4RLTB4R2PPARG
SCHEMBL5339384 0.77 HTR1D (0.48) MAOBMEN1KMT2ASIRT2
SCHEMBL5332724 0.75 ALDH1A1 (0.52) MAOBSIRT2
SCHEMBL5341756 0.74 SIRT2 (0.38) MAOBSRD5A2NPC1RAB9ASIRT2
SCHEMBL18549460 0.72 PARP10 (0.50) MAOBSRD5A2MEN1NPC1RAB9A

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 MAOB 71/4885SRD5A2 186/4885MEN1 2814/4885

“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.