SCHEMBL4913822

SCHEMBL4913822

COc1ccc(OC)c(S(=O)(=O)Oc2cccc(C3(c4ccc(F)c(Br)c4)NC(=S)N(C)C3=O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
VDR P11473 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
BACE1 P56817 3/20 0.33
RECQL P46063 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.31
EPAS1 Q99814 1/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL4911726 0.93 KMT2A (0.36) KMT2ASMN1; SMN2GAAMAPK1MEN1
SCHEMBL4737591 0.87 BACE1 (0.39) KMT2AMEN1MAPTBACE1BACE2
SCHEMBL4919313 0.85 CNR1 (0.34)
SCHEMBL4784960 0.84 ALDH1A1 (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1BACE1
SCHEMBL4906825 0.84 CNR1 (0.35) BACE1
SCHEMBL4914059 0.83 CNR1 (0.34) KMT2ASMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL4916542 0.81 GAA (0.38) KMT2ASMN1; SMN2GAABACE1ALPL
SCHEMBL4786497 0.81 CNR1 (0.38) BACE1
SCHEMBL4917068 0.81 BACE1 (0.55) BACE1BACE2
SCHEMBL4919242 0.80 CNR1 (0.31)

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 1 patent. 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

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 KMT2A 3101/4885SMN1; SMN2 304/4885GAA 91/4885

“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.