SCHEMBL5286235

SCHEMBL5286235

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CNC(=O)OCc2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.53
HDAC3 O15379 8/20 0.52
HDAC4 P56524 8/20 0.52
HDAC7 Q8WUI4 8/20 0.52
HDAC2 Q92769 8/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC11 Q96DB2 8/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC9 Q9UKV0 8/20 0.52
HDAC5 Q9UQL6 8/20 0.52
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.48
KDM1A O60341 1/20 0.47
CYP3A4 P08684 1/20 0.47
F3 P13726 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5284053 0.90 NAMPT (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6038188 0.82 GAA (0.54) HDAC2HDAC8HDAC6GAANAMPT
SCHEMBL5277774 0.79 LMNA (0.51) GAAKDM4E
SCHEMBL6037906 0.77 CA1 (0.45) GAAFAAH
SCHEMBL5325209 0.76 LMNA (0.51) GAA
SCHEMBL6037915 0.75 LMNA (0.50) GAA
SCHEMBL740186 0.75 CYP1A2 (0.60) CYP3A4
SCHEMBL5790114 0.75 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5279229 0.74 LMNA (0.48) KDM4E
SCHEMBL6038163 0.74 LMNA (0.49) GAA

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC3 2/4885HDAC4 7/4885

“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.