SCHEMBL168426

SCHEMBL168426

COC(=O)c1cc(C)c(Br)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA14 Q9ULX7 4/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
GAA P10253 3/20 0.47
MYC P01106 1/20 0.45
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.42
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.41
XDH P47989 2/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL168324 0.93 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL5154161 0.86 SOS1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL20802853 0.85 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL18420521 0.85 NOTUM (0.45) CA1CA2CA9CA12CA7
SCHEMBL31385726 0.85 NOTUM (0.45) CA1CA2CA9CA12CA7
SCHEMBL8980551 0.84 CA12 (0.57) CA1CA2CA9CA12CA7
SCHEMBL4906052 0.82 CA12 (0.55) CA1CA2CA9CA12CA7
SCHEMBL30463075 0.81 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL644516 0.81 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL30107294 0.81 NOTUM (0.45) CA1CA2CA9CA12CA7

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 CA1 4686/4885CA2 4083/4885CA9 4776/4885

“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.