SCHEMBL2628252

SCHEMBL2628252

CNc1ccc(/C=C/c2nc3ccccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 4/20 0.66
RAB9A P51151 3/20 0.66
APP P05067 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
INSR P06213 1/20 0.66
NCOA1 Q15788 1/20 0.66
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.57
ALOX5 P09917 1/20 0.57
EPHX2 P34913 1/20 0.57
GAA P10253 2/20 0.56
GLA P06280 1/20 0.56
KAT8 Q9H7Z6 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
SCHEMBL27557266 1.00 MEN1 (0.66) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL30803727 0.92 MEN1 (0.56) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL6482082 0.92 MEN1 (0.56) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL30446667 0.92 MEN1 (0.56) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL25673149 0.92 MEN1 (0.56) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL319385 0.87 MEN1 (0.77) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL319386 0.87 MEN1 (0.77) MEN1KMT2AMAPTRAB9AAPP
SCHEMBL29559249 0.87 MEN1 (0.77) MEN1KMT2AMAPTRAB9AAPP
Dimethylamine SCHEMBL11573253 0.86 MAPT (0.67) MEN1KMT2AMAPTRAB9AAPP
Alanine SCHEMBL1245505 0.86 ALOX5 (0.53) MEN1KMT2AMAPTRAB9AAPP

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 7 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-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-20150190400-A1 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) 2015-07-09 US disclosed
US-20150190400-A1 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) 2015-07-09 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-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

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 MEN1 2567/4885KMT2A 3526/4885MAPT 2/4885
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 MEN1 2842/4885KMT2A 3801/4885MAPT 3/4885
US-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MEN1 2819/4885KMT2A 3728/4885MAPT 3/4885

“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.