SCHEMBL4477185

SCHEMBL4477185

O=C(CCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.70
CES2 O00748 1/20 0.70
GSK3B P49841 1/20 0.62
HSD11B1 P28845 1/20 0.62
ALOX5 P09917 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
HTR1A P08908 1/20 0.59
POLB P06746 2/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
HSP90AA1 P07900 1/20 0.57
OPRK1 P41145 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NR4A2 P43354 1/20 0.57
RAB9A P51151 2/20 0.56

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
SCHEMBL240086 0.92 GSK3B (0.71) CES1CES2GSK3BHSD11B1TDP1
SCHEMBL6650467 0.89 GSK3B (0.62) CES1CES2GSK3BHSD11B1TDP1
SCHEMBL9207986 0.89 CES1 (0.70) CES1CES2GSK3BHSD11B1ALOX5
SCHEMBL522192 0.86 ALDH1A1 (0.64) CES1CES2GSK3BHSD11B1ALOX5
SCHEMBL10789142 0.85 GSK3B (0.62) CES1CES2GSK3BHSD11B1ALOX5
SCHEMBL9734470 0.85 GSK3B (0.67) CES1CES2GSK3BHSD11B1TDP1
SCHEMBL6575965 0.85 CES2 (0.51) CES1CES2GSK3BHSD11B1ALOX5
SCHEMBL11756878 0.84 FFAR1 (0.64) CES1CES2GSK3BHSD11B1TDP1
SCHEMBL5500374 0.84 TP53 (0.67) CES1CES2MAPK1ALDH1A1MAPT
SCHEMBL1982760 0.84 GSK3B (0.66) CES1CES2GSK3BHSD11B1TDP1

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 CES1 600/4885CES2 2049/4885GSK3B 283/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP CES1 600/4885CES2 2049/4885GSK3B 283/4885

“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.