SCHEMBL3885673

SCHEMBL3885673

O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL1264566 0.88 STAT3 (0.55) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL15688188 0.88 ALDH1A1 (0.56) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL20137410 0.79 MGLL (0.50) MAPTALDH1A1LMNA
SCHEMBL28325485 0.79 STAT3 (0.42) MEN1KMT2AMAPTMAPK1NPSR1
Tert-Butyl Formate SCHEMBL28325487 0.79 MEN1 (0.47) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL6891634 0.78 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25026904 0.77 RAB9A (0.57) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL13678600 0.77 MAPK1 (0.53) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3152366 0.77 MEN1 (0.58) MEN1KMT2AMAPTMAOAALDH1A1
SCHEMBL1264542 0.76 RAB9A (0.43) MEN1KMT2AMAPTMAPK1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 MEN1 1095/4885KMT2A 1237/4885MAPT 3176/4885

“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.