SCHEMBL2628249

SCHEMBL2628249

Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.94
MAPT P10636 6/20 0.94
KDM4E B2RXH2 3/20 0.94
NPC1 O15118 3/20 0.94
GAA P10253 3/20 0.94
RAB9A P51151 3/20 0.94
GLA P06280 2/20 0.94
TP53 P04637 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
SNCA P37840 1/20 0.65
THRB P10828 1/20 0.60
MITF O75030 1/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
RECQL P46063 1/20 0.59
GFER P55789 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59

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
SCHEMBL492713 0.97 APP (1.00) APPMAPTKDM4ENPC1GAA
Ammonia Solution, Strong SCHEMBL7994519 0.95 APP (0.97) APPMAPTKDM4ENPC1GAA
Ethylene SCHEMBL27827468 0.93 APP (0.91) APPMAPTKDM4ENPC1GAA
1,2-Dichloroethane SCHEMBL2195018 0.90 APP (0.86) APPMAPTKDM4ENPC1GAA
SCHEMBL1984426 0.89 APP (0.84) APPMAPTKDM4ENPC1GAA
SCHEMBL1984424 0.89 APP (0.84) APPMAPTKDM4ENPC1GAA
SCHEMBL4848589 0.88 MAPT (0.76) APPMAPTKDM4ENPC1GAA
SCHEMBL2628259 0.87 MAPT (0.86) APPMAPTKDM4ENPC1GAA
SCHEMBL12422217 0.87 MAPT (0.81) APPMAPTKDM4ENPC1GAA
SCHEMBL8534189 0.84 MAPT (1.00) APPMAPTKDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833458-B2 Thioflavin derivatives 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 (US) 2017-12-05 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-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-20090123373-A1 AMYLOID-IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2009-05-14 US disclosed
US-20090123373-A1 AMYLOID-IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2009-05-14 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-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-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

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-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 3/4885KDM4E 4234/4885
US-20090123373-A1 AMYLOID-IMAGING AGENTS APBA1, APP, MAPT APP 2/4885MAPT 3/4885KDM4E 4809/4885

“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.