SCHEMBL2628263

SCHEMBL2628263

Cc1ccc2nc(-c3ccc(N(C)[11CH3])cc3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 1.00
MAPT P10636 5/20 0.68
GLA P06280 3/20 0.68
GAA P10253 3/20 0.68
KDM4E B2RXH2 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SNCA P37840 1/20 0.65
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
CASP3 P42574 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HPGD P15428 1/20 0.54
RORC P51449 1/20 0.54
TP53 P04637 2/20 0.53

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
SCHEMBL1727124 1.00 APP (1.00) APPMAPTGLAGAAKDM4E
Hydrochloric Acid SCHEMBL38731 0.98 APP (0.97) APPMAPTGLAGAAKDM4E
Ammonia Solution, Strong SCHEMBL27534538 0.98 APP (0.97) APPMAPTGLAGAAKDM4E
SCHEMBL13853558 0.97 APP (0.94) APPMAPTGLAGAAKDM4E
SCHEMBL1982962 0.92 APP (0.85) APPMAPTGLAGAAKDM4E
SCHEMBL1982961 0.92 APP (0.85) APPMAPTGLAGAAKDM4E
SCHEMBL21771267 0.88 APP (0.78) APPMAPTGLAGAAKDM4E
SCHEMBL12422217 0.87 MAPT (0.81) APPMAPTGLAGAAKDM4E
SCHEMBL13341214 0.86 APP (0.73) APPMAPTGLAGAAKDM4E
SCHEMBL2633341 0.85 APP (0.73) APPMAPTGLAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404213-B2 Thioflavin derivatives for use in 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 (US) 2013-03-26 US disclosed
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-7351401-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimers disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2008-04-01 US disclosed
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH 2008-01-24 US disclosed
US-7270800-B2 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy UNIVERSITY OF PITTSBURGH (US) 2007-09-18 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 1/4885MAPT 2/4885GLA 138/4885
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 1/4885MAPT 3/4885GLA 189/4885
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 1/4885MAPT 3/4885GLA 180/4885
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP APP 3/4885MAPT 6/4885GLA 806/4885

“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.