SCHEMBL4493300

SCHEMBL4493300

N=C(N)NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.70
CTSD P07339 1/20 0.56
BACE2 Q9Y5Z0 1/20 0.56
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 1/20 0.44
DEGS1 O15121 1/20 0.43
PTPN1 P18031 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
TP53 P04637 1/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SAE1 Q9UBE0 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
SCHEMBL4488993 0.89 BACE1 (0.71) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL4479466 0.83 BACE1 (0.55) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL4472723 0.82 BACE1 (0.55) BACE1CTSDBACE2KMT2A
SCHEMBL4495554 0.81 BACE1 (0.73) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL4487598 0.78 BACE1 (0.72) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL4483598 0.78 PORCN (0.52) BACE1MEN1KMT2AMAPT
SCHEMBL4472988 0.75 BACE1 (0.62) BACE1CTSD
SCHEMBL4491203 0.74 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL4478905 0.74 BACE1 (0.46) BACE1CTSDBACE2KMT2A
SCHEMBL4480903 0.73 BACE1 (0.43) BACE1CTSDBACE2KMT2A

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.