SCHEMBL5118884

SCHEMBL5118884

CC(=O)CCCCC[C@H](NC(=O)c1ccc2nccnc2c1)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.71
ATM Q13315 1/20 0.55
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
PADI4 Q9UM07 1/20 0.48
PADI2 Q9Y2J8 1/20 0.48

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
SCHEMBL5126127 0.90 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28315009 0.88 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5125487 0.88 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5129719 0.87 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5119895 0.87 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28316212 0.87 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5119796 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28315035 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5117428 0.86 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5121169 0.86 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885ATM 2748/4885HDAC3 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.