SCHEMBL4579839

SCHEMBL4579839

CN1CCN(c2ccc(C(=O)NN(C(=O)O)c3ccc(-c4cccs4)cc3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.61
HDAC2 Q92769 5/20 0.61
HDAC10 Q969S8 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KCNH2 Q12809 11/20 0.49
WNT1 P04628 1/20 0.47
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
HDAC1 Q13547 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4580709 0.80 TDP1 (0.51) HDAC3HDAC2HDAC1SMN1; SMN2
SCHEMBL4579334 0.79 HPGDS (0.40) HDAC3HDAC2HDAC10HDAC6HDAC1
SCHEMBL4579810 0.77 HDAC3 (0.79) HDAC3HDAC2HDAC10HDAC6KCNH2
SCHEMBL4579682 0.76 HDAC2 (1.00) HDAC3HDAC2KCNH2HDAC1
SCHEMBL20163063 0.76 HDAC3 (0.59) HDAC3HDAC2HDAC10HDAC6KCNH2
SCHEMBL20163145 0.75 HDAC2 (0.51) HDAC3HDAC2HDAC10WNT1GSK3B
SCHEMBL1066552 0.74 ABL1 (0.52) HDAC3HDAC2HDAC1
SCHEMBL4579383 0.74 HDAC2 (0.44) HDAC3HDAC2HDAC10HDAC6KCNH2
SCHEMBL1067900 0.73 CHRM4 (0.55) HDAC3HDAC2HDAC10HDAC6KCNH2
SCHEMBL4578392 0.73 MCHR1 (0.73) HDAC1

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-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC2 5/4885HDAC10 11/4885

“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.