SCHEMBL4489664

SCHEMBL4489664

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.71
TSHR P16473 2/20 0.67
DAO P14920 1/20 0.67
NAPRT Q6XQN6 1/20 0.67
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 3/20 0.63
GAA P10253 1/20 0.63
CYP2C19 P33261 1/20 0.63
SRD5A2 P31213 3/20 0.62
CES1 P23141 2/20 0.62
CES2 O00748 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 2/20 0.61
HIF1A Q16665 2/20 0.61
FFAR1 O14842 1/20 0.61
CYP1A2 P05177 1/20 0.61
MAPK1 P28482 3/20 0.59

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
SCHEMBL28594420 0.93 TSHR (0.67) NR4A2TSHRDAONAPRTLMNA
SCHEMBL30121738 0.90 NR4A2 (0.85) NR4A2LMNAMAPTTDP1L3MBTL1
SCHEMBL719034 0.90 NR4A2 (0.85) NR4A2LMNAMAPTTDP1L3MBTL1
SCHEMBL8206307 0.86 NR4A2 (0.71) NR4A2TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL8780714 0.86 MEN1 (0.81) NR4A2TSHRDAONAPRTLMNA
SCHEMBL1985867 0.86 NPC1 (0.62) NR4A2TSHRDAONAPRTLMNA
Terephthalic Acid SCHEMBL4961359 0.84 TSHR (0.93) TSHRDAONAPRTALDH1A1SRD5A2
Benzoic Acid SCHEMBL186965 0.84 TSHR (0.93) TSHRDAONAPRTMAPTTDP1
SCHEMBL14156928 0.84 CA12 (0.73) TSHRTDP1L3MBTL1ALDH1A1GAA
SCHEMBL10789243 0.84 TSHR (0.55) NR4A2TSHRDAONAPRTLMNA

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 2173/4885TSHR 4663/4885DAO 697/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP NR4A2 2173/4885TSHR 4663/4885DAO 697/4885

“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.