SCHEMBL5339384

SCHEMBL5339384

CN1C(=O)C(Br)=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.48
TRPM8 Q7Z2W7 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
LTA4H P09960 3/20 0.47
PLA2G2A P14555 3/20 0.47
ACHE P22303 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KMT2A Q03164 1/20 0.46
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
ALDH1A1 P00352 1/20 0.44

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
Tert-Butyl Formate SCHEMBL27613248 0.92 ACHE (0.43) HTR1DTRPM8KDM4EMAPTSIRT2
SCHEMBL5332724 0.92 ALDH1A1 (0.52) HTR1DTRPM8KDM4EMAPTSIRT2
SCHEMBL3971688 0.85 TRPM8 (0.46) HTR1DTRPM8KDM4EMAPTSIRT2
Tert-Butyl Formate SCHEMBL27613154 0.84 ALDH1A1 (0.45) SIRT2SIRT1ACHEMEN1KMT2A
SCHEMBL5337023 0.82 MAOA (0.52) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL5879137 0.80 HTR1D (0.49) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL7814978 0.80 MAOA (0.58) HTR1DTRPM8KDM4EMAPTSIRT2
Tert-Butyl Formate SCHEMBL27613194 0.78 LTA4H (0.41) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL7815290 0.77 PRKCB (0.60) HTR1DTRPM8KDM4EMAPTSIRT2
SCHEMBL7828332 0.77 TRPM8 (0.53) HTR1DTRPM8KDM4EMAPTSIRT2

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 HTR1D 241/4885TRPM8 3804/4885KDM4E 4183/4885

“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.