SCHEMBL4488993

SCHEMBL4488993

N=C(N)NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.71
CTSD P07339 1/20 0.71
BACE2 Q9Y5Z0 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL4493300 0.89 BACE1 (0.70) BACE1CTSDBACE2MAPTTP53
SCHEMBL4479466 0.88 BACE1 (0.55) BACE1CTSDBACE2RAB9ANPC1
SCHEMBL4495554 0.86 BACE1 (0.73) BACE1CTSDBACE2SMN1; SMN2RAB9A
SCHEMBL4472723 0.79 BACE1 (0.55) BACE1CTSDBACE2KDM4EALDH1A1
SCHEMBL4478905 0.79 BACE1 (0.46) BACE1CTSDBACE2KMT2A
SCHEMBL4487598 0.78 BACE1 (0.72) BACE1CTSDBACE2RAB9ANPC1
SCHEMBL12189683 0.77 PTPN1 (0.67) BACE1CTSDBACE2SMN1; SMN2RAB9A
SCHEMBL4483598 0.76 PORCN (0.52) BACE1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL4480903 0.73 BACE1 (0.43) BACE1CTSDBACE2KDM4EALDH1A1
SCHEMBL4472988 0.73 BACE1 (0.62) BACE1CTSD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US claimed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US claimed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP claimed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO claimed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US claimed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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 (2 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP BACE1 1/4885CTSD 590/4885BACE2 2/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP BACE1 1/4885CTSD 590/4885BACE2 2/4885

“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.