SCHEMBL4498036

SCHEMBL4498036

C=CCCCOc1ccc(-c2ccc(-c3ccccc3)n2CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.56
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 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
SCHEMBL4497746 0.88 BACE1 (0.53) BACE1ALDH1A1L3MBTL1HDAC1HDAC2
SCHEMBL13420978 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL8269596 0.78 BACE1 (0.59) BACE1CTSD
SCHEMBL4486966 0.78 BACE1 (0.53) BACE1CTSDMMP3
SCHEMBL4483662 0.78 BACE1 (0.58) BACE1ALDH1A1L3MBTL1CTSD
SCHEMBL8269573 0.78 BACE1 (0.58) BACE1ALDH1A1L3MBTL1CTSD
SCHEMBL4483659 0.78 BACE1 (0.58) BACE1ALDH1A1L3MBTL1CTSD
SCHEMBL18777290 0.77 ALDH1A1 (0.63) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL4494789 0.76 KDM4E (0.69) BACE1ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL4483861 0.76 BACE1 (0.61) BACE1ALDH1A1L3MBTL1KDM4EHSD17B10

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 11 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
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 BACE1 1/4885ALDH1A1 360/4885L3MBTL1 3911/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP BACE1 1/4885ALDH1A1 360/4885L3MBTL1 3911/4885

“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.