SCHEMBL4376555

SCHEMBL4376555

CCN(CCCCCCNC(=O)OCc1ccccc1)Cc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
TGM2 P21980 1/20 0.53
APP P05067 6/20 0.50
SIRT2 Q8IXJ6 2/20 0.50
HTT P42858 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4203085 0.88 TGM2 (0.54) BCHEACHETGM2APPSIRT2
SCHEMBL4365817 0.88 APP (0.63) BCHEACHETGM2APPSIRT2
SCHEMBL4365126 0.87 APP (0.64) BCHEACHEAPP
SCHEMBL4207014 0.87 APP (0.64) BCHEACHEAPP
SCHEMBL4208306 0.87 APP (0.64) BCHEACHEAPP
SCHEMBL4204714 0.85 APP (0.64) BCHEACHEAPP
SCHEMBL4367462 0.84 BCHE (0.57) BCHEACHETGM2APPSIRT2
SCHEMBL4371553 0.82 APP (0.63) BCHEACHEAPP
SCHEMBL21172170 0.82 HTT (0.63) TGM2APPSIRT2HTTSIRT1
SCHEMBL4369041 0.81 APP (0.55) TGM2APPSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2005-11-24 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 (1 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-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor PSEN2, BACE2, WEE2 BCHE 77/4885ACHE 169/4885TGM2 532/4885

“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.