SCHEMBL4912002

SCHEMBL4912002

CN1C(=O)C(c2ccc(OS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)(c2ccc(F)c(Br)c2)NC1=S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PKM P14618 8/20 0.37
LMNA P02545 5/20 0.37
HTT P42858 2/20 0.37
PSMD14 O00487 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4913352 0.93 PKM (0.38) TSHRL3MBTL1MEN1KMT2APKM
SCHEMBL4916542 0.84 GAA (0.38) TSHRL3MBTL1KMT2ALMNAHTT
SCHEMBL4737186 0.83 CNR1 (0.38) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4906403 0.82 ALOX15 (0.37) L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL4524137 0.80 CNR1 (0.40) TSHRLMNA
SCHEMBL4914076 0.80 CNR1 (0.36)
SCHEMBL4910715 0.79 BACE1 (0.44)
SCHEMBL4783917 0.79 PKM (0.38) TSHRL3MBTL1MEN1KMT2APKM
SCHEMBL4906871 0.79 ALDH1A1 (0.37)
SCHEMBL4733449 0.78 CNR1 (0.41) LMNA

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 TSHR 4849/4885L3MBTL1 3184/4885MEN1 2438/4885

“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.