SCHEMBL166024

SCHEMBL166024

O=C(OCc1ccccc1)c1cc(C(F)(F)F)c(C(=O)N2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.43
APP P05067 2/20 0.43
SCN9A Q15858 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
NMT1 P30419 1/20 0.42
CASP3 P42574 1/20 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
SCHEMBL168500 0.91 HPGD (0.49) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL166546 0.90 HSD17B10 (0.50) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL167883 0.84 HPGD (0.55) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL168958 0.84 ALDH1A1 (0.54) KMT2AALDH1A1POLBMRGPRX4RXRA
SCHEMBL31335801 0.81 MRGPRX4 (0.50) KMT2AALDH1A1POLBMRGPRX4RXRA
SCHEMBL16586238 0.81 MRGPRX4 (0.50) KMT2AALDH1A1POLBMRGPRX4RXRA
SCHEMBL24983701 0.80 RXRA (0.51) KMT2AALDH1A1POLBMRGPRX4RXRA
SCHEMBL30141159 0.80 RXRA (0.51) KMT2AALDH1A1POLBMRGPRX4RXRA
SCHEMBL256456 0.79 LRRK2 (0.63)
SCHEMBL23809724 0.77 ALDH1A1 (0.62) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1

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 SMN1; SMN2 603/4885MEN1 4191/4885KMT2A 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.