SCHEMBL9947486

SCHEMBL9947486

Cc1ccc(-c2cc3cc(N(C)C)ccc3o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.66
▸ MAOB P27338 5/20 0.58
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ PGR P06401 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ QPCT Q16769 1/20 0.43

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
SCHEMBL734516 0.86 APP (0.64) APPMAOBESR1ESR2L3MBTL1
SCHEMBL11850978 0.83 MAOB (0.80) APPMAOBESR1ESR2TNKS
SCHEMBL7117044 0.82 MAOB (0.69) APPMAOBESR1ESR2ADORA3
SCHEMBL15080535 0.81 APP (0.57) APPMAOBL3MBTL1APAF1USP2
SCHEMBL14076003 0.79 APP (0.68) APPMAOBESR1ESR2L3MBTL1
SCHEMBL17427775 0.79 MAOB (0.62) MAOBESR1ESR2TNKSADORA3
SCHEMBL21860421 0.77 MAOB (0.74) APPMAOBESR1ESR2TNKS
SCHEMBL12422881 0.77 MAOB (0.54) APPMAOBESR1ESR2ALDH1A1
SCHEMBL11851368 0.77 MAOB (0.61) APPMAOBESR1ESR2TNKS
SCHEMBL9133017 0.77 APP (0.65) APPMAOBL3MBTL1APAF1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1812/4885ESR1 2586/4885
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 APP 2/4885MAOB 1693/4885ESR1 2826/4885

“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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