SCHEMBL4782387

SCHEMBL4782387

Brc1cccc(C#Cc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 2/20 0.43
ACACB O00763 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
METAP2 P50579 1/20 0.40
TERT O14746 1/20 0.39

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
SCHEMBL4527924 0.83 ACACB (0.47) MAPTLMNAHTTBLMMAOB
SCHEMBL10300112 0.82 ACACB (0.52) MAPTLMNAHTTBLMMAOB
SCHEMBL4521301 0.80 ACACB (0.40) MAPTLMNAHTTBLMMAOB
SCHEMBL29779956 0.78 GRM5 (0.53) TDP1GRM5ALDH1A1
SCHEMBL1375869 0.78 GRM5 (0.53) TDP1GRM5ALDH1A1
SCHEMBL14154999 0.74 MAPT (0.56) MAPTLMNAHTTBLMMAOB
SCHEMBL661042 0.73 MAPT (0.87) MAPTLMNAHTTBLMMAOB
SCHEMBL3662278 0.73 MAPT (0.44) MAPTLMNAHTTBLMMAOB
SCHEMBL10191904 0.73 ACACB (0.46) MAPTLMNAHTTBLMMAOB
SCHEMBL13247286 0.72 KDM4E (0.46) MAPTMAOBMAOANPC1RAB9A

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-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 MAPT 7/4885LMNA 3185/4885HTT 515/4885

“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.