SCHEMBL2633341

SCHEMBL2633341

Cc1ccc2nc(-c3ccc(N(C)CI)cc3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.73
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SNCA P37840 1/20 0.58
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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 0.85 APP (1.00) APPMAPTKDM4EGLAGAA
SCHEMBL2628263 0.85 APP (1.00) APPMAPTKDM4EGLAGAA
SCHEMBL2633247 0.84 APP (0.75) APPGLAGAASNCA
Hydrochloric Acid SCHEMBL38731 0.83 APP (0.97) APPMAPTKDM4EGLAGAA
Ammonia Solution, Strong SCHEMBL27534538 0.83 APP (0.97) APPMAPTKDM4EGLAGAA
SCHEMBL13853558 0.82 APP (0.94) APPMAPTKDM4EGLAGAA
SCHEMBL21392934 0.82 APP (0.65) APPMAPTKDM4EGLAGAA
SCHEMBL12422217 0.81 MAPT (0.81) APPMAPTKDM4EGLAGAA
SCHEMBL3411815 0.81 APP (0.72) APPMAPTKDM4EGLAGAA
SCHEMBL13501919 0.81 APP (0.64) APPMAPTKDM4EGLAGAA

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-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

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

For each of this compound's patents that has machine-readable text (3 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 2/4885KDM4E 3866/4885
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 3/4885KDM4E 4267/4885
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP APP 3/4885MAPT 6/4885KDM4E 3482/4885

“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.