SCHEMBL5280423

SCHEMBL5280423

COC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
KLK5 Q9Y337 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 2/20 0.44
FKBP1A P62942 1/20 0.43
ACE P12821 1/20 0.43
PKM P14618 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL5280421 1.00 HDAC8 (0.48) HDAC8KLK5TDP1CHRM2CHRM4
SCHEMBL29489430 0.91 KLK5 (0.51) HDAC8KLK5LMNARAB9ASMN1; SMN2
SCHEMBL14235217 0.83 KLK5 (0.53) KLK5LMNARAB9ASMN1; SMN2DPP4
SCHEMBL6468703 0.83 KLK5 (0.53) KLK5LMNARAB9ASMN1; SMN2DPP4
SCHEMBL5033324 0.83 HDAC8 (0.52) HDAC8TDP1CHRM2CHRM4CHRM5
SCHEMBL5033320 0.83 HDAC8 (0.52) HDAC8TDP1CHRM2CHRM4CHRM5
SCHEMBL5491765 0.83 LMNA (0.54) LMNARAB9ASMN1; SMN2DPP4FKBP1A
SCHEMBL5491755 0.83 LMNA (0.54) LMNARAB9ASMN1; SMN2DPP4FKBP1A
SCHEMBL6882664 0.83 LMNA (0.54) LMNARAB9ASMN1; SMN2DPP4FKBP1A
SCHEMBL19753428 0.81 PEPD (0.50) KLK5TDP1DPP4FKBP1AMAOA

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 4 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 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
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 HDAC8 11/4885KLK5 1692/4885TDP1 1008/4885

“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.