SCHEMBL4914535

SCHEMBL4914535

CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cc(Cl)cc(OS(C)(=O)=O)c3)c2)N=C1N

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.63
CTSD P07339 11/20 0.63
BACE2 Q9Y5Z0 11/20 0.63
REN P00797 1/20 0.54

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
SCHEMBL4796735 0.91 BACE1 (0.51) BACE1CTSDBACE2REN
SCHEMBL4913059 0.91 BACE1 (0.68) BACE1CTSDBACE2REN
SCHEMBL4514928 0.90 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL4920916 0.89 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4785251 0.89 BACE1 (0.66) BACE1CTSDBACE2REN
Hydrochloric Acid SCHEMBL4523436 0.88 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL4916496 0.86 BACE1 (0.61) BACE1CTSDBACE2REN
SCHEMBL4784237 0.86 BACE1 (0.66) BACE1CTSDBACE2REN
SCHEMBL8202556 0.85 BACE1 (0.61) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL4916867 0.84 BACE1 (0.60) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US claimed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 357/4885BACE2 2/4885

“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.