SCHEMBL4476891

SCHEMBL4476891

O=C(Cl)c1ccc(C(=O)CCC(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.65
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ GAA P10253 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ FFAR1 O14842 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ MAPK1 P28482 3/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ CTNNB1 P35222 5/20 0.55
▸ WNT3A P56704 4/20 0.55
▸ USP2 O75604 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL15094064 0.87 NR4A2 (0.65) NR4A2L3MBTL1MAPTLMNATDP1
SCHEMBL30382798 0.87 NPC1 (0.58) NR4A2L3MBTL1MAPTLMNATDP1
SCHEMBL30121738 0.86 NR4A2 (0.85) NR4A2L3MBTL1MAPTLMNATDP1
SCHEMBL719034 0.86 NR4A2 (0.85) NR4A2L3MBTL1MAPTLMNATDP1
SCHEMBL8834212 0.84 NR4A2 (0.68) NR4A2L3MBTL1MAPTLMNATDP1
Benzoyl Chloride SCHEMBL8995857 0.83 CES1 (0.58) L3MBTL1MAPTLMNATDP1ALDH1A1
Benzoyl Chloride SCHEMBL1241 0.83 — —
Benzoyl Chloride SCHEMBL1331834 0.83 — —
Benzoyl Chloride SCHEMBL14359354 0.83 CES1 (0.58) L3MBTL1MAPTLMNATDP1ALDH1A1
SCHEMBL19185622 0.83 CES1 (0.58) L3MBTL1MAPTLMNATDP1ALDH1A1

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 NR4A2 2173/4885L3MBTL1 3911/4885MAPT 30/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP NR4A2 2173/4885L3MBTL1 3911/4885MAPT 30/4885

“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.

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