SCHEMBL5528867

SCHEMBL5528867

CN(C)c1ccc2c(c1)-c1ccccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
RAB9A P51151 7/20 0.59
L3MBTL1 Q9Y468 6/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
NPSR1 Q6W5P4 4/20 0.59
PTK2B Q14289 1/20 0.59
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ELANE P08246 1/20 0.48
CDC25B P30305 1/20 0.48
MAPK1 P28482 6/20 0.47
PTPRC P08575 3/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 3/20 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
SCHEMBL4129142 0.96 ALDH1A1 (0.59) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3091326 0.94 ALDH1A1 (0.61) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL9514250 0.92 ALDH1A1 (0.59) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL10926086 0.87 ALDH1A1 (0.59) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL9769393 0.87 ALDH1A1 (0.59) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
Phosphoric Acid SCHEMBL6338455 0.85 ALDH1A1 (0.53) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL13936313 0.81 PTPRC (0.53) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3690656 0.79 CYP1A2 (0.46) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6334994 0.78 ELANE (0.52) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL21922648 0.78 NPC1 (0.48) ALDH1A1RAB9AL3MBTL1MEN1KMT2A

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 6 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-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 ALDH1A1 1209/4885RAB9A 327/4885L3MBTL1 1784/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 ALDH1A1 1533/4885RAB9A 1798/4885L3MBTL1 1900/4885

“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.