SCHEMBL5567663

SCHEMBL5567663

O=C1NCCCCC1NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX1 P07099 1/20 0.46
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
POLB P06746 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.40
CCR2 P41597 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL4002909 0.81 VEGFA (0.47) ALDH1A1KDM4EVEGFAEGLN1CCR2
SCHEMBL5567270 0.81 VEGFA (0.47) ALDH1A1KDM4EEPHX1VEGFAEGLN1
SCHEMBL4007580 0.81 VEGFA (0.47) ALDH1A1KDM4EVEGFAEGLN1CCR2
SCHEMBL7095007 0.81 VEGFA (0.61) ALDH1A1KDM4EVEGFAEGLN1BACE1
SCHEMBL7142332 0.80 MAPT (0.57) ALDH1A1KDM4EEPHX1POLBLMNA
SCHEMBL4390832 0.78 CRBN (0.53) ALDH1A1KDM4EEPHX1BCHEACHE
SCHEMBL27551339 0.77 EPHX1 (0.40) ALDH1A1EPHX1POLBLMNAMAPT
SCHEMBL4013822 0.77 VEGFA (0.43) ALDH1A1VEGFAEGLN1BCHEACHE
SCHEMBL18181888 0.76 POLB (0.67) ALDH1A1EPHX1BCHEACHEBACE1
SCHEMBL3099025 0.75 POLB (0.69) ALDH1A1EPHX1BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 ALDH1A1 3005/4885KDM4E 1793/4885EPHX1 508/4885

“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.