SCHEMBL4680952

SCHEMBL4680952

[O]Cc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PIEZO1 Q92508 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES2 O00748 2/20 0.36
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
HSD17B10 Q99714 2/20 0.36
DAO P14920 4/20 0.36
PTPN5 P54829 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PARK7 Q99497 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
SCHEMBL17742275 0.84 ESR1 (0.40) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL475304 0.82 IDO1 (0.41) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL29382636 0.82 IDO1 (0.41) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL25085860 0.80 IDO1 (0.43) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL3680986 0.80 IDO1 (0.40) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL12708057 0.80 IDO1 (0.43) IDO1TAS2R14PIEZO1HSD17B10PTPN5
SCHEMBL142651 0.80 KLF10 (0.40) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL31034795 0.80 IDO1 (0.43) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL30377054 0.80 KLF10 (0.40) IDO1TAS2R14PIEZO1MAPTXBP1
SCHEMBL150189 0.80 IDO1 (0.40) IDO1TAS2R14PIEZO1MAPTXBP1

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
CN-101437804-A Dibenzyl amine compounds and derivatives PFIZER PROD INC (US) 2009-05-20 CN disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP IDO1 910/4885TAS2R14 2832/4885PIEZO1 4801/4885

“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.