SCHEMBL3458231

SCHEMBL3458231

Fc1ccc(Oc2cccc([Mg]Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
FURIN P09958 2/20 0.39
ALOX5 P09917 3/20 0.37
SOS1 Q07889 1/20 0.37
HSPB1 P04792 1/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAOB P27338 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL7265757 0.85 LTA4H (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6290722 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6290436 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6290665 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6289859 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4569951 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6289255 0.80 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7940811 0.77 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27443501 0.76 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2394719 0.76 MAOB (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264036-A1 Amino-imidazolones for the inhibition of beta-secretase Wyeth LLC (Formerly Known As Wyeth) (US) 2010-12-22 EP disclosed
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-10-08 US disclosed
US-7563796-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2009-07-21 US disclosed
EP-1836208-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE Wyeth Incoporated (US) 2007-09-26 EP disclosed
US-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase WYETH (US) 2006-07-20 US disclosed
WO-2006076284-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE WYETH (US) 2006-07-20 WO 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-20060160828-A1 Amino-imidazolones for the inhibition of beta-secretase BACE1, BACE2, APP ALDH1A1 2917/4885MAPT 13/4885SMN1; SMN2 1408/4885
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP ALDH1A1 2917/4885MAPT 13/4885SMN1; SMN2 1408/4885

“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.