SCHEMBL13806286

SCHEMBL13806286

COc1ccc2nc(-c3c(F)c(F)c(N)c(F)c3F)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.63
ILK Q13418 2/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
PDK1 Q15118 1/20 0.51

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
SCHEMBL13806290 0.84 APP (0.61) APPILKCYP1A2CYP3A4CYP2C19
SCHEMBL13806280 0.78 APP (0.60) APPGAA
SCHEMBL229456 0.78 APP (0.68) APPILKCYP1A2CYP3A4CYP2C19
SCHEMBL13806279 0.77 APP (1.00) APPGLAGAA
SCHEMBL1572680 0.77 APP (1.00) APPGLAGAA
SCHEMBL1977100 0.77 APP (1.00) APPCYP1A2CYP3A4CYP2C19GLA
SCHEMBL12974045 0.77 APP (1.00) APPCYP1A2CYP3A4CYP2C19GLA
SCHEMBL6982071 0.77 APP (0.66) APPILKCYP1A2CYP3A4CYP2C19
SCHEMBL686406 0.76 ILK (1.00) ILK
SCHEMBL5429982 0.76 APP (0.83) APPGLAGAA

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 3/4885ILK 2294/4885CYP1A2 1402/4885

“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.