SCHEMBL4735601

SCHEMBL4735601

COc1ccc(C2(c3cncc(Br)c3)NC(=S)N(C)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.44
BACE1 P56817 5/20 0.41
KMT2A Q03164 3/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4906420 0.87 CNR1 (0.41) CNR1BACE1
SCHEMBL4854871 0.86 CNR1 (0.46) CNR1BACE1
SCHEMBL4234620 0.76 BACE1 (0.43) CNR1BACE1KMT2ABACE2MEN1
SCHEMBL4511383 0.75 KMT2A (0.42) CNR1BACE1KMT2ABACE2MEN1
SCHEMBL4519510 0.73 BACE1 (0.44) BACE1KMT2ABACE2TSHRMEN1
SCHEMBL4524550 0.72 CNR1 (0.43) CNR1BACE1
SCHEMBL4115606 0.71 CNR1 (0.51) CNR1BACE1
SCHEMBL20291002 0.71 CNR1 (0.51) CNR1BACE1
SCHEMBL4916542 0.71 GAA (0.38) CNR1BACE1KMT2ATSHRSMN1; SMN2
SCHEMBL4785718 0.70 CNR1 (0.46) CNR1BACE1KMT2AMEN1

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 5 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 disclosed
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
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
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 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-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 CNR1 1799/4885BACE1 1/4885KMT2A 3101/4885

“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.