SCHEMBL8240478

SCHEMBL8240478

CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)N=C1N

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.80
CTSD P07339 7/20 0.80
BACE2 Q9Y5Z0 7/20 0.80

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
Trifluoroacetic Acid SCHEMBL4237403 0.95 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL8237455 0.93 BACE1 (0.86) BACE1CTSDBACE2
Trifluoroacetic Acid SCHEMBL4227937 0.88 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL3537647 0.87 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL4240537 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL8231385 0.87 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL3533665 0.87 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL4233968 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5067087 0.87 BACE1 (1.00) BACE1CTSDBACE2
Trifluoroacetic Acid SCHEMBL4235511 0.86 BACE1 (0.71) 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 3 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 disclosed
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
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.