SCHEMBL4478091

SCHEMBL4478091

N=C(N)NC(=O)Cn1c(Cc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
BACE1 P56817 12/20 0.43
CTSD P07339 11/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
RCE1 Q9Y256 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4472723 0.87 BACE1 (0.55) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4483851 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4472379 0.84 BACE1 (0.48) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4491252 0.80 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4472988 0.78 BACE1 (0.62) BACE1CTSD
SCHEMBL4480903 0.78 BACE1 (0.43) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL4468046 0.77 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL5502499 0.77 BACE1 (0.42) BACE1CTSDKMT2ABACE2
SCHEMBL4478905 0.77 BACE1 (0.46) BACE1CTSDKMT2ABACE2
SCHEMBL27699452 0.76 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDBACE1

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 12 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 disclosed
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-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
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
CN-101146769-A Azolylacylguanidines as beta-secretase inhibitors WYETH CORP (US) 2008-03-19 CN 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
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US 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 KDM4E 1462/4885ALDH1A1 360/4885HSD17B10 933/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 1462/4885ALDH1A1 360/4885HSD17B10 933/4885

“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.