SCHEMBL167389

SCHEMBL167389

O=C(OCc1ccc(F)cc1)c1cc(Br)c(CN2CCOCC2)cc1OCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL167781 0.91 CCR5 (0.50) CCR5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL166797 0.90 CCR5 (0.47) CCR5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL165997 0.87 MAPK14 (0.52) CCR5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL15204994 0.86 CCR5 (0.47) CCR5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL167731 0.83 NPC1 (0.46) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL166183 0.81 CCR5 (0.50) CCR5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL167815 0.79 LRRK2 (0.62) POLB
SCHEMBL166264 0.79 MAPK14 (0.54) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL168274 0.79 CCR5 (0.40) CCR5MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL166412 0.77 CCR5 (0.50) CCR5MAPTALDH1A1SMN1; SMN2HTT

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 CCR5 4269/4885MAPT 102/4885ALDH1A1 3544/4885

“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.