SCHEMBL5523693

SCHEMBL5523693

CN(C)c1ccc2c(c1)C(=O)c1cc(Br)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.61
PTPRC P08575 1/20 0.53
BCL2 P10415 2/20 0.52
MCL1 Q07820 1/20 0.52
CYP1A2 P05177 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10926086 0.88 ALDH1A1 (0.59) S100A4PTPRCCYP1A2MAPK1ALDH1A1
SCHEMBL9769393 0.84 ALDH1A1 (0.59) PTPRCCYP1A2MAPK1ALDH1A1APP
SCHEMBL39700 0.82 S100A4 (0.90) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL29390614 0.82 S100A4 (0.90) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL4129142 0.81 ALDH1A1 (0.59) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL9514250 0.80 ALDH1A1 (0.59) CYP1A2MAPK1ALDH1A1APPL3MBTL1
SCHEMBL3091326 0.79 ALDH1A1 (0.61) PTPRCBCL2MCL1CYP1A2MAPK1
SCHEMBL19767754 0.78 S100A4 (0.81) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL20313056 0.77 MAPK1 (0.56) S100A4PTPRCBCL2MCL1CYP1A2
SCHEMBL29514452 0.77 S100A4 (1.00) S100A4PTPRCBCL2MCL1CYP1A2

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-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-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 US disclosed
US-20050214222-A1 In vivo imaging of amyloid plaques in glaucoma using intravenous injectable dyes NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2005-09-29 US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO 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 (2 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-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP S100A4 94/4885PTPRC 3309/4885BCL2 321/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 S100A4 288/4885PTPRC 3961/4885BCL2 1219/4885

“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.