SCHEMBL4367462

SCHEMBL4367462

CCN(CCCCCCNC(=O)OCc1ccccc1)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
APP P05067 6/20 0.49
TGM2 P21980 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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 0.85 TGM2 (0.54) BCHEACHEAPPTGM2SIRT2
SCHEMBL4365817 0.84 APP (0.63) BCHEACHEAPPTGM2SIRT2
SCHEMBL4376555 0.84 BCHE (0.54) BCHEACHEAPPTGM2SIRT2
SCHEMBL4207014 0.83 APP (0.64) BCHEACHEAPP
SCHEMBL4365126 0.83 APP (0.64) BCHEACHEAPP
SCHEMBL4208306 0.83 APP (0.64) BCHEACHEAPP
SCHEMBL4204714 0.82 APP (0.64) BCHEACHEAPP
SCHEMBL4375008 0.81 TGM2 (0.53) TGM2HTTALDH1A1KEAP1NFE2L2
SCHEMBL4371553 0.79 APP (0.63) BCHEACHEAPP
SCHEMBL793834 0.79 ALDH1A1 (0.47) TGM2HTTALDH1A1KEAP1NFE2L2

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-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
EP-1497257-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) 2005-01-19 EP disclosed
WO-2003087035-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) 2003-10-23 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 (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 169/4885APP 16/4885

“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.