SCHEMBL3458024

SCHEMBL3458024

CCCOc1cccc([Mg]Br)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
LTA4H P09960 1/20 0.38
KAT6A Q92794 1/20 0.37

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
SCHEMBL3138349 0.85 TP53 (0.53) KMT2ATSHRKDM4ESMN1; SMN2LMNA
SCHEMBL7848585 0.82 KMT2A (0.50) KMT2ATSHRGPBAR1CYSLTR1KDM4E
1,3-Dipropoxybenzene SCHEMBL73716 0.80 KMT2A (0.63) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL9457403 0.79 MAOB (0.36) TSHRLMNATP53CYP3A4
SCHEMBL928621 0.77 LTA4H (0.50) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL899943 0.77 ALDH1A1 (0.42) KMT2ATSHRKDM4E
SCHEMBL5251988 0.76 KMT2A (0.47) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL874093 0.76 KMT2A (0.54) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL7614389 0.76 KMT2A (0.54) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL1438757 0.76 MAOB (0.56) KMT2AKDM4ENPC1RAB9ASMN1; SMN2

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 KMT2A 3367/4885TSHR 4825/4885GPBAR1 2849/4885
US-20090253716-A1 AMINO-IMIDAZOLONES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP KMT2A 3367/4885TSHR 4825/4885GPBAR1 2849/4885

“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.