SCHEMBL4227941

SCHEMBL4227941

CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)NC1(N)OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.44
CTSD P07339 3/20 0.44
BACE2 Q9Y5Z0 3/20 0.44
TRPC5 Q9UL62 2/20 0.36
SERPINE1 P05121 1/20 0.36
PDE10A Q9Y233 2/20 0.35
SCN9A Q15858 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
OPRL1 P41146 1/20 0.35
XDH P47989 1/20 0.35
DHODH Q02127 1/20 0.35
MGLL Q99685 1/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL4237404 0.94 BACE1 (0.40) BACE1CTSDBACE2SERPINE1
SCHEMBL4238987 0.92 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL4232737 0.92 BACE1 (0.38) BACE1CTSDBACE2
SCHEMBL4235769 0.89 BACE1 (0.47) BACE1DHODH
SCHEMBL4235513 0.89 BACE1 (0.38) BACE1CTSDBACE2FFAR1FFAR4
SCHEMBL4236592 0.88 BACE1 (0.34) BACE1CTSDBACE2
SCHEMBL4234507 0.88 BACE1 (0.35) BACE1
SCHEMBL4237695 0.88 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL4228487 0.87 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL4237650 0.87 GRIN1 (0.37) OPRL1

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-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-1954682-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-08-13 EP disclosed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 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-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia PSEN2, MAPT, PSEN1 BACE1 7/4885CTSD 2973/4885BACE2 26/4885

“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.