SCHEMBL735725

SCHEMBL735725

CNc1ccc2oc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.64
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GABRP O00591 3/20 0.45
GABRD O14764 3/20 0.45
GABRA1 P14867 3/20 0.45
GABRB1 P18505 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRB2 P47870 3/20 0.45
GABRA4 P48169 3/20 0.45
GABRE P78334 3/20 0.45
GABRA6 Q16445 3/20 0.45
GABRG1 Q8N1C3 3/20 0.45
GABRG3 Q99928 3/20 0.45

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
SCHEMBL28702769 0.84 APP (0.63) APPMAOBMAOAESR1ESR2
SCHEMBL22694534 0.84 APP (0.59) APPMAOBESR1ESR2NPC1
SCHEMBL3204567 0.81 APP (0.50) APPMAOBMAOAESR1ESR2
SCHEMBL735803 0.79 MAOB (0.71) APPMAOBMAOAESR1ESR2
SCHEMBL9947476 0.79 MAOB (0.71) APPMAOBMAOAESR1ESR2
SCHEMBL14390013 0.78 APP (0.68) APPMAOBESR1ESR2NPC1
SCHEMBL16317462 0.78 APP (0.68) APPMAOBMAOAESR1ESR2
SCHEMBL734887 0.76 APP (0.61) APPMAOBMAOAESR1ESR2
SCHEMBL11851368 0.76 MAOB (0.61) APPMAOBMAOAESR1ESR2
SCHEMBL734509 0.76 ESR1 (0.80) APPMAOBMAOAESR1ESR2

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 APP 2/4885MAOB 1812/4885MAOA 2440/4885
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 APP 2/4885MAOB 1693/4885MAOA 2032/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 APP 2/4885MAOB 1693/4885MAOA 2032/4885

“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.