SCHEMBL1726253

SCHEMBL1726253

CN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 1.00
RELA Q04206 1/20 0.65
MAPT P10636 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CASP1 P29466 2/20 0.61
HBB P68871 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
ALOX15 P16050 1/20 0.61
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.57
BRCA1 P38398 1/20 0.57
CASP7 P55210 1/20 0.57
PTGS1 P23219 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
ALPG P10696 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL1726254 1.00 APP (1.00) APPRELAMAPTMEN1KMT2A
SCHEMBL12319187 1.00 APP (1.00) APPRELAMAPTMEN1KMT2A
SCHEMBL1714449 0.88 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL1714446 0.88 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL7915381 0.88 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL13467434 0.88 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL3025040 0.88 RELA (0.81) APPRELAMAPTMEN1KMT2A
SCHEMBL29389358 0.85 RELA (0.77) APPRELAMAPTMEN1KMT2A
SCHEMBL671950 0.85 APP (0.73) APPMAPTMEN1KMT2AHBB
SCHEMBL23908232 0.81 RELA (0.71) APPRELAMAPTMEN1KMT2A

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042501-B1 COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2017-04-12 EP disclosed
EP-2716641-B1 RADIOACTIVE IODINE LABELED COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2017-04-05 EP disclosed
EP-2725027-B1 NOVEL COMPOUND WITH AMYLOID AFFINITY NIHON MEDIPHYSICS CO LTD (JP) 2017-03-01 EP disclosed
US-9211350-B2 Compound with amyloid affinity NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-12-15 US disclosed
US-9149546-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2015-10-06 US disclosed
US-20140335019-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND ANALYSIS OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 US disclosed
US-20140228569-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2014-08-14 US disclosed
US-20140121377-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY NIHON MEDI-PHYSICS CO., LTD. (JP) 2014-05-01 US disclosed
EP-2725027-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY Nihon Medi-Physics Co., Ltd. (JP) 2014-04-30 EP disclosed
EP-1432453-B1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES UNIV PENNSYLVANIA (US) 2013-08-14 EP 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 (6 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 2968/4885MAPT 6/4885
US-20140228569-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, BACE1 APP 1/4885RELA 1907/4885MAPT 14/4885
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 2689/4885MAPT 13/4885
US-20140335019-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND ANALYSIS OF NEUROLOGICAL DISORDERS PSEN1, PSEN2, APP APP 3/4885RELA 4598/4885MAPT 5/4885
US-20140121377-A1 NOVEL COMPOUND WITH AMYLOID AFFINITY APP, APBA1, BACE1 APP 1/4885RELA 1675/4885MAPT 8/4885
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885RELA 2968/4885MAPT 6/4885

“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.