SCHEMBL168500

SCHEMBL168500

O=C(O)c1cc(C(F)(F)F)c(C(=O)N2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PTGER1 P34995 1/20 0.45
SCN9A Q15858 1/20 0.44

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 0.91 SMN1; SMN2 (0.51) HPGDALDH1A1MAPTATMNPC1
SCHEMBL256445 0.82 LRRK2 (0.64)
SCHEMBL256456 0.82 LRRK2 (0.63)
SCHEMBL166061 0.82 HRH3 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL166546 0.81 HSD17B10 (0.50) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL16586292 0.80 RXRA (0.57) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL4475217 0.79 HPGD (0.52) HPGDALDH1A1MAPTATMNPC1
SCHEMBL24983699 0.78 RXRA (0.58) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL30892446 0.78 RXRA (0.58) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL1647511 0.78 ALDH1A1 (0.63) HPGDALDH1A1MAPTATMNPC1

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 HPGD 3234/4885ALDH1A1 3544/4885MAPT 102/4885

“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.