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
SCHEMBL257194 0.80 LRRK2 (0.61) —
SCHEMBL257158 0.80 LRRK2 (0.65) —
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.

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