SCHEMBL4237109

SCHEMBL4237109

COc1ccc(C2(c3ccc(OC)cc3)N=C(N)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.62
BACE2 Q9Y5Z0 2/20 0.62
APP P05067 1/20 0.56
CTSE P14091 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4232600 0.94 BACE1 (0.73) BACE1BACE2APPCTSECYP3A4
SCHEMBL4240543 0.90 BACE1 (0.51) BACE1BACE2APPCTSECYP3A4
SCHEMBL4238234 0.77 BACE1 (0.68) BACE1BACE2APPMAPK1
SCHEMBL4239036 0.77 BACE1 (1.00) BACE1BACE2APP
SCHEMBL4532322 0.76 APP (0.46) BACE1BACE2APPCYP3A4
SCHEMBL3456361 0.75 APP (0.75) BACE1BACE2APP
SCHEMBL4232097 0.74 BACE1 (0.50) BACE1BACE2APPTDP1
SCHEMBL14201206 0.71 APP (0.72) BACE1BACE2APP
SCHEMBL4238438 0.70 BACE1 (0.46) BACE1BACE2
SCHEMBL8235054 0.70 BACE1 (0.83) BACE1BACE2APP

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
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 claimed
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 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

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 7/4885BACE2 26/4885APP 15/4885

“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.