SCHEMBL734884

SCHEMBL734884

COc1ccc2cc(-c3ccc(F)cc3)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.65
APP P05067 5/20 0.57
PTPN1 P18031 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AR P10275 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA3 P07451 1/20 0.50
AKR1B1 P15121 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL734502 1.00 MAOB (0.65) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL29873464 0.90 APP (0.64) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL6748778 0.90 APP (0.64) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL729457 0.89 APP (0.73) MAOBAPPNPC1RAB9AKDM4E
SCHEMBL735788 0.89 APP (0.73) MAOBAPPNPC1RAB9AKDM4E
SCHEMBL7117562 0.85 MAOB (0.66) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL20473173 0.84 MAOB (0.58) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL10047398 0.84 APP (0.57) MAOBAPPPTPN1NPC1RAB9A
SCHEMBL6822627 0.83 NPC1 (0.66) APPPTPN1NPC1RAB9AKDM4E
SCHEMBL3922788 0.83 APP (0.64) MAOBAPPNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-07-26 US disclosed
US-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-06-14 US disclosed
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
EP-1945622-B1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGINGAGENTS FOR AMYLOIDOGENIC PROTEINS UNIV PITTSBURGH (US) 2011-12-28 EP disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 US disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 US disclosed
WO-2007047204-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGINGAGENTS FORAMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH (US) 2007-04-26 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 (3 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-20120148494-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 MAOB 1812/4885APP 2/4885PTPN1 4869/4885
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 MAOB 1693/4885APP 2/4885PTPN1 4859/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 MAOB 1693/4885APP 2/4885PTPN1 4859/4885

“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.