SCHEMBL2945333

SCHEMBL2945333

CN(C)c1ccc(/C=C/c2cccc(I)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 1.00
RELA Q04206 1/20 0.63
MAT2A P31153 1/20 0.53
KCNH2 Q12809 1/20 0.53
PTGS1 P23219 1/20 0.51
NQO2 P16083 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP1 P29466 2/20 0.50
HBB P68871 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2945337 1.00 APP (1.00) APPRELAMAT2AKCNH2PTGS1
SCHEMBL10339262 0.87 RELA (0.76) APPRELAMAT2AKCNH2PTGS1
SCHEMBL10339261 0.87 RELA (0.76) APPRELAMAT2AKCNH2PTGS1
SCHEMBL2773829 0.83 APP (0.71) APPRELAMAT2AKCNH2PTGS1
SCHEMBL2773826 0.83 APP (0.71) APPRELAMAT2AKCNH2PTGS1
SCHEMBL22198258 0.81 APP (0.69) APPRELAMAPTMEN1KMT2A
SCHEMBL698667 0.81 APP (0.74) APPRELA
SCHEMBL12319187 0.81 APP (1.00) APPRELAMAT2AKCNH2PTGS1
SCHEMBL1726253 0.81 APP (1.00) APPRELAMAT2AKCNH2PTGS1
SCHEMBL1726254 0.81 APP (1.00) APPRELAMAT2AKCNH2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432453-B1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES UNIV PENNSYLVANIA (US) 2013-08-14 EP disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 US disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 US disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 US disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 US disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 US disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed
US-20060002853-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-01-05 US disclosed
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-08-07 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-20060002853-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885RELA 2968/4885MAT2A 3029/4885
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP APP 1/4885RELA 2689/4885MAT2A 1912/4885
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques APP, APBA1, PSEN1 APP 1/4885RELA 2968/4885MAT2A 3029/4885
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885RELA 2968/4885MAT2A 3029/4885

“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.