SCHEMBL166131

SCHEMBL166131

COC(=O)c1cc(Br)c(CBr)cc1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.38
CFD P00746 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
SOS1 Q07889 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 3/20 0.35
TNFSF11 O14788 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL167752 0.94 KDM4E (0.39) KDM4EPOLBCFDLMNAALDH1A1
SCHEMBL4237620 0.86 HTT (0.47) KDM4EPOLBCA12CA1CA2
SCHEMBL20539831 0.84 HTT (0.46) KDM4EPOLBCFDLMNAALDH1A1
SCHEMBL28617100 0.83 TNFSF11 (0.41) KDM4EPOLBCFDLMNAALDH1A1
SCHEMBL2288266 0.82 TNFSF11 (0.42) KDM4ECFDALDH1A1NR3C1PGR
SCHEMBL167487 0.81 KDM4E (0.41) KDM4EPOLBCFDLMNAALDH1A1
SCHEMBL167967 0.80 POLB (0.51) KDM4EPOLBCFDLMNASOS1
SCHEMBL25342879 0.77 HTR2A (0.44) KDM4EPOLBCA12CA1CA2
SCHEMBL166372 0.77 POLB (0.48) KDM4EPOLBCFDALDH1A1SOS1
SCHEMBL22400318 0.77 SOS1 (0.44) KDM4EPOLBLMNAALDH1A1SOS1

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 KDM4E 1447/4885POLB 1496/4885CFD 4883/4885

“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.