SCHEMBL4232097

SCHEMBL4232097

COc1cc(C2(c3cc(OC)c(OC)c(OC)c3)N=C(N)NC2=O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
BACE2 Q9Y5Z0 1/20 0.50
APP P05067 1/20 0.44
CYP19A1 P11511 2/20 0.41
NQO2 P16083 1/20 0.41
MAP3K11 Q16584 2/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GSK3B P49841 1/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4237109 0.74 BACE1 (0.62) BACE1BACE2APPTDP1
SCHEMBL4232600 0.70 BACE1 (0.73) BACE1BACE2APPKMT2AGLA
SCHEMBL542508 0.68 LMNA (0.54) MAP3K11KDM4EMEN1KMT2AMAPT
SCHEMBL4240543 0.67 BACE1 (0.51) BACE1BACE2APPKDM4EMEN1
SCHEMBL191996 0.67 ACHE (0.59) CYP19A1NQO2KDM4EMAPTTSHR
SCHEMBL11091785 0.66 MAPT (0.46) MAP3K11KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4381078 0.65 ACHE (0.56) CYP19A1NQO2KDM4EMAPTGAA
Ammonia Solution, Strong SCHEMBL4946565 0.65 ACHE (0.56) CYP19A1NQO2KDM4EMAPTTSHR
SCHEMBL1171716 0.65 MAPT (0.37) CYP19A1NQO2KDM4EPOLBMEN1
SCHEMBL31360534 0.63 CA2 (0.68) CYP19A1NQO2KDM4EMEN1KMT2A

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.