SCHEMBL2633246

SCHEMBL2633246

Cc1ccc2nc(-c3ccc(NCI)cc3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.71
APP P05067 6/20 0.71
SNCA P37840 1/20 0.71
KDM4E B2RXH2 10/20 0.62
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
GAA P10253 5/20 0.62
GLA P06280 4/20 0.62
ALDH1A1 P00352 9/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
HPGD P15428 7/20 0.59
RORC P51449 2/20 0.59
TP53 P04637 1/20 0.58

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
SCHEMBL29466163 0.88 MAPT (0.72) MAPTAPPSNCAKDM4ENPC1
SCHEMBL13903820 0.88 MAPT (0.72) MAPTAPPSNCAKDM4ENPC1
SCHEMBL19600250 0.84 MAPT (0.67) MAPTAPPSNCAKDM4ENPC1
SCHEMBL13903794 0.84 MAPT (0.67) MAPTAPPSNCAKDM4ENPC1
SCHEMBL11996726 0.84 APP (0.69) MAPTAPPSMN1; SMN2TP53
SCHEMBL13245826 0.83 MAPT (0.59) MAPTAPPSNCAKDM4ENPC1
SCHEMBL13903812 0.83 NPC1 (0.71) MAPTAPPSNCAKDM4ENPC1
SCHEMBL13245825 0.83 MAPT (0.66) MAPTAPPSNCAKDM4ENPC1
SCHEMBL2633282 0.83 APP (0.73) APPSNCAGAAGLA
SCHEMBL10600442 0.83 SMN1; SMN2 (0.67) MAPTAPPSNCAKDM4ENPC1

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 MAPT 2/4885APP 1/4885SNCA 65/4885
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 MAPT 3/4885APP 1/4885SNCA 92/4885
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 MAPT 3/4885APP 1/4885SNCA 70/4885
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP MAPT 6/4885APP 3/4885SNCA 52/4885

“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.