SCHEMBL2633282

SCHEMBL2633282

COc1ccc2nc(-c3ccc(NCI)cc3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.73
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
SULT1A1 P50225 1/20 0.57
SNCA P37840 1/20 0.55

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
SCHEMBL16892131 0.89 APP (0.74) APPGLAGAASULT1A1SNCA
SCHEMBL31286465 0.85 APP (0.70) APPGLAGAASULT1A1SNCA
SCHEMBL13062756 0.84 APP (0.68) APPGLAGAASULT1A1SNCA
SCHEMBL13062755 0.84 APP (0.68) APPGLAGAASULT1A1SNCA
SCHEMBL2061418 0.84 APP (1.00) APPGLAGAASULT1A1SNCA
SCHEMBL12974135 0.84 APP (1.00) APPGLAGAASULT1A1SNCA
SCHEMBL14199907 0.84 APP (1.00) APPGLAGAASULT1A1SNCA
SCHEMBL5429982 0.84 APP (0.83) APPGLAGAASULT1A1SNCA
SCHEMBL2633246 0.83 MAPT (0.71) APPGLAGAASNCA
SCHEMBL1572797 0.81 APP (0.74) APPGLAGAASULT1A1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-04-19 US disclosed
US-20110257407-A1 THIOFLAVIN DERIVATIVES FOR USE IN ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH 2011-10-20 US disclosed
US-7854920-B2 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH (US) 2010-12-21 US disclosed
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH 2008-06-26 US disclosed
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH 2008-01-24 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 (4 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-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, MAPT, PSEN2 APP 1/4885GLA 138/4885GAA 1020/4885
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT APP 1/4885GLA 189/4885GAA 986/4885
US-20110257407-A1 THIOFLAVIN DERIVATIVES FOR USE IN ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT APP 1/4885GLA 180/4885GAA 962/4885
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP APP 3/4885GLA 806/4885GAA 1459/4885

“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.