SCHEMBL4560351

SCHEMBL4560351

CC(c1ccccc1)c1c(C(N)=O)ccnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
BCAT2 O15382 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 3/20 0.38
AURKA O14965 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDC7 O00311 3/20 0.37
PARP1 P09874 1/20 0.37
NR3C2 P08235 1/20 0.36
JAK2 O60674 2/20 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
SCHEMBL4560248 0.78 MEN1 (0.43) KDM4ENTRK1PIM1MEN1KMT2A
SCHEMBL4560349 0.78 KDM4E (0.39) KDM4EASPHKDM8MAP2K1CLK4
SCHEMBL3351170 0.77 IRAK4 (0.47) KDM4EBCAT2RPS6KB1AURKAGAA
SCHEMBL4786305 0.77 IRAK4 (0.47) KDM4EBCAT2RPS6KB1AURKAGAA
SCHEMBL3650281 0.77 IRAK4 (0.47) KDM4EBCAT2RPS6KB1AURKAGAA
SCHEMBL27890738 0.76 KDM4E (0.46) KDM4EMAP2K1CLK4DYRK1BBCAT2
SCHEMBL4560226 0.75 BCAT2 (0.57) BCAT2RPS6KB1AURKAMEN1KMT2A
SCHEMBL7201932 0.74 BCAT2 (0.46) KDM4EMAP2K1CLK4DYRK1BBCAT2
SCHEMBL5217185 0.74 CDC7 (0.46) KDM4EMAP2K1CLK4DYRK1BBCAT2
SCHEMBL1758364 0.74 IKBKB (0.47) KDM4EMAP2K1CLK4DYRK1BBCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 KDM4E 91/4885ASPH 199/4885KDM8 55/4885

“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.