SCHEMBL18429765

SCHEMBL18429765

Ic1ccc(COc2ccccn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
APP P05067 15/20 0.56
CYP3A4 P08684 1/20 0.44
IDO1 P14902 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
SCHEMBL10055039 0.90 NPC1 (0.68) NPC1ALDH1A1CYP2D6CYP2C19APP
SCHEMBL223680 0.84 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19CYP3A4
SCHEMBL29816629 0.84 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19CYP3A4
SCHEMBL510090 0.81 NPC1 (0.63) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL31473741 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19APP
SCHEMBL31544077 0.81 NPC1 (0.63) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL1680866 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL510167 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL21054861 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL510400 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581565-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF Beijing Zhibo Bio-Medical Technology Co., Ltd. (CN) 2019-12-18 EP disclosed
US-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF ZHANG ZHIYONG (CN) 2017-02-09 US disclosed
CN-103724207-B Phenylbenzyl ether derivative and its preparation method and application 北京智博高科生物技术有限公司 2016-07-06 CN 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-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF APP, PSEN1, PSEN2 NPC1 69/4885ALDH1A1 3616/4885CYP2D6 2899/4885

“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.