SCHEMBL166546

SCHEMBL166546

O=C(OCc1ccccc1)c1cc(C(F)(F)F)c(C(=O)N2CCOCC2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
APP P05067 1/20 0.45
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
TSHR P16473 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL166024 0.90 SMN1; SMN2 (0.51) ALDH1A1KMT2ANPSR1MEN1HPGD
SCHEMBL168475 0.85 HSD17B10 (0.53) HSD17B10ALDH1A1KMT2ANPSR1MEN1
SCHEMBL168737 0.85 HSD17B10 (0.53) HSD17B10ALDH1A1KMT2ANPSR1MEN1
SCHEMBL168958 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EHTTTSHR
SCHEMBL168500 0.81 HPGD (0.49) ALDH1A1KMT2ANPSR1MEN1HPGD
SCHEMBL257158 0.80 LRRK2 (0.65)
SCHEMBL257194 0.80 LRRK2 (0.61)
SCHEMBL31335801 0.80 MRGPRX4 (0.50) ALDH1A1KMT2AHTTTSHRMRGPRX4
SCHEMBL16586238 0.80 MRGPRX4 (0.50) ALDH1A1KMT2AHTTTSHRMRGPRX4
SCHEMBL24983701 0.78 RXRA (0.51) ALDH1A1KMT2AHTTTSHRMRGPRX4

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-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
EP-2611772-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-10 EP disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS LRRK2, PARK7, BRSK2 HSD17B10 2900/4885ALDH1A1 3544/4885KMT2A 609/4885

“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.