SCHEMBL4479221

SCHEMBL4479221

O=C(O)Cn1c(-c2ccccc2)ccc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
TP53 P04637 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
STAT1 P42224 1/20 0.49
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL4476968 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8269510 0.83 BACE1 (0.71) CTSDBACE1
SCHEMBL4478954 0.81 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4494789 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8443695 0.81 CHRNA7 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
Guanidine SCHEMBL5507238 0.81 MAPT (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8443800 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5507240 0.76 BACE1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4027686 0.76 CHKA (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8269516 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 9 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-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

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 360/4885KDM4E 1462/4885HPGD 2234/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 360/4885KDM4E 1462/4885HPGD 2234/4885

“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.