SCHEMBL4560244

SCHEMBL4560244

COc1ccc(C(N)=O)c(-c2ccccc2)c1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5479516 0.88 FABP3 (0.41) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL23361670 0.80 FABP3 (0.51) AURKARPS6KB1KMT2AHTTLMNA
SCHEMBL31653573 0.77 FABP4 (0.46) AURKARPS6KB1KMT2AHTTLMNA
SCHEMBL9765827 0.77 MAPT (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL529977 0.77 FABP4 (0.46) AURKARPS6KB1KMT2AHTTLMNA
SCHEMBL2362774 0.77 FABP3 (0.58) NPC1RAB9AHTTLMNAFABP3
SCHEMBL5517158 0.77 FABP3 (0.46) AURKARPS6KB1KMT2AHTTLMNA
SCHEMBL28778944 0.76 MAPT (0.48) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL28932372 0.76 FABP3 (0.45) AURKARPS6KB1NPC1KMT2AHTT
SCHEMBL6509108 0.76 MKNK1 (0.47) AURKARPS6KB1KMT2AHTTLMNA

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 PDE4A 1395/4885PDE4B 1584/4885PDE4C 2249/4885

“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.