SCHEMBL13806280

SCHEMBL13806280

Nc1c(F)c(F)c(-c2nc3ccc(O)cc3s2)c(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.60
SULT1A1 P50225 3/20 0.60
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL13806288 0.82 APP (0.61) APPSULT1A1MAPT
SCHEMBL13806291 0.80 APP (0.55) APPSULT1A1GAAHTTL3MBTL1
SCHEMBL13806286 0.78 APP (0.63) APPGAA
SCHEMBL13806292 0.77 APP (0.55) APPSULT1A1GAAHTTL3MBTL1
SCHEMBL13806277 0.75 APP (0.63) APPSULT1A1GAAHTTL3MBTL1
SCHEMBL13806261 0.75 APP (0.63) APPSULT1A1GAAHTTL3MBTL1
SCHEMBL13806295 0.75 APP (0.63) APPSULT1A1GAAHTTL3MBTL1
SCHEMBL9238817 0.75 APP (1.00) APPSULT1A1MAPTTP53THRB
SCHEMBL2036269 0.75 APP (1.00) APPSULT1A1GAAMAPTTP53
SCHEMBL5423269 0.74 APP (0.81) APPSULT1A1GAAHTTL3MBTL1

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
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
WO-2007064773-A2 ISOTOPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-06-07 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 (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-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS MAPT, TSPO, APP APP 3/4885SULT1A1 917/4885GAA 1207/4885

“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.