SCHEMBL729733

SCHEMBL729733

COc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.71
▸ APP P05067 4/20 0.64
▸ XDH P47989 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ THRB P10828 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 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
SCHEMBL7823812 0.84 MAOB (0.63) MAOBXDHPOLB
SCHEMBL29873198 0.84 APP (0.82) MAOBAPPALDH1A1MAPTNPC1
SCHEMBL14833013 0.84 APP (0.82) MAOBAPPALDH1A1MAPTNPC1
SCHEMBL2535418 0.83 XDH (0.86) MAOBXDHALDH1A1MAPTNPC1
SCHEMBL4985411 0.83 ALDH1A1 (0.76) MAOBAPPALDH1A1MAPTNPC1
SCHEMBL14900899 0.81 TNKS (0.59) MAOBMAPTNPC1RAB9AMEN1
SCHEMBL11844763 0.80 APP (0.75) MAOBAPPALDH1A1MAPTNPC1
SCHEMBL10172976 0.79 APP (0.54) MAOBAPPALDH1A1MAPTNPC1
SCHEMBL10172975 0.79 GABRP (0.69) MAOBMAPTNPC1RAB9AMEN1
SCHEMBL13191536 0.79 MAOB (0.54) MAOBMAPTNPC1RAB9A

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 10 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
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-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
EP-1945622-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGINGAGENTS FORAMYLOIDOGENIC PROTEINS The University of Pittsburgh (US) 2008-07-23 — — EP disclosed
WO-2007047204-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGINGAGENTS FORAMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH (US) 2007-04-26 — — WO 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 2/4885XDH 3105/4885
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 MAOB 1693/4885APP 2/4885XDH 2764/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 MAOB 1693/4885APP 2/4885XDH 2764/4885

“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.

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