SCHEMBL4494345

SCHEMBL4494345

COC(=O)Cn1c(-c2ccccc2)ccc1-c1cccc(NC(=O)c2cc(C)on2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
USP2 O75604 2/20 0.53
HSD17B10 Q99714 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
TP53 P04637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GFER P55789 1/20 0.46
GLA P06280 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL8269526 0.85 BACE1 (0.60) ALDH1A1SMN1; SMN2USP2MAPTMEN1
SCHEMBL4483928 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2USP2HSD17B10MAPT
SCHEMBL8269545 0.75 BACE1 (0.63) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL8267163 0.75 SMN1; SMN2 (0.88) ALDH1A1SMN1; SMN2USP2HSD17B10MAPT
SCHEMBL8266868 0.75 RAB9A (0.77) ALDH1A1SMN1; SMN2USP2HSD17B10MAPT
SCHEMBL4481659 0.75 KDM4E (0.71) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL8269544 0.73 KDM4E (0.59) ALDH1A1SMN1; SMN2HSD17B10MAPTMEN1
SCHEMBL4479535 0.72 KDM4E (0.57) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL8269546 0.72 BACE1 (0.61) ALDH1A1SMN1; SMN2HSD17B10MAPTMEN1
SCHEMBL2531671 0.72 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2USP2HSD17B10MAPT

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 ALDH1A1 360/4885SMN1; SMN2 2907/4885USP2 593/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 360/4885SMN1; SMN2 2907/4885USP2 593/4885

“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.