SCHEMBL4784460

SCHEMBL4784460

O=C(C(=O)c1ccc2c(c1)OCCO2)c1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MAOB P27338 2/20 0.64
MAPT P10636 4/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 2/20 0.54
CTNNB1 P35222 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
WNT3A P56704 2/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL932685 0.84 NPC1 (0.57) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL4511538 0.84 PRKCI (0.51) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL4518583 0.81 CTNNB1 (0.59) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL21980363 0.81 NPC1 (0.57) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL6670439 0.79 PARP1 (0.68) NPC1MEN1GAAKMT2AL3MBTL1
SCHEMBL3759545 0.78 TSHR (0.62) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL1660203 0.78 CTNNB1 (0.61) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL6621631 0.76 TSHR (0.65) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL28473333 0.76 CES2 (0.67) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL31164296 0.76 MAPT (0.67) NPC1RAB9AMAOBMAPTMEN1

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 NPC1 57/4885RAB9A 1424/4885MAOB 855/4885

“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.