SCHEMBL4783533

SCHEMBL4783533

O=C(C(=O)c1ccnc(Cl)c1)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
GRM5 P41594 1/20 0.41
NPC1 O15118 4/20 0.41
GRM4 Q14833 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
RAB9A P51151 4/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL6670439 0.80 PARP1 (0.68) PARP1ALDH1A1TP53HPGDNPC1
SCHEMBL2657896 0.80 MAPT (0.57) PARP1ALDH1A1TP53HPGDMAPT
SCHEMBL27442205 0.78 NPC1 (0.60) ALDH1A1TP53MAPTGRM5NPC1
SCHEMBL14114778 0.77 CES2 (0.44) PARP1ALDH1A1TP53HPGDGRM5
SCHEMBL3927686 0.77 LMNA (0.42) ALDH1A1MAPTRAB9APOLBRECQL
SCHEMBL5197732 0.76 CES2 (0.59) NPC1KMT2ARAB9ATSHRRECQL
SCHEMBL9446705 0.75 CYP11B1 (0.46) ALDH1A1MAPTRECQL
SCHEMBL4229652 0.75 CES2 (0.61) PARP1ALDH1A1TP53HPGDMAPT
SCHEMBL4784283 0.75 CES2 (0.47) HPGDMAPTMAPK1MEN1KMT2A
SCHEMBL20892408 0.73 LMNA (0.59) MAPTMAPK1NPC1MEN1KMT2A

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 3 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
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 PARP1 2591/4885ALDH1A1 2961/4885TP53 1980/4885

“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.