SCHEMBL4916650

SCHEMBL4916650

COc1cccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.72
HDAC6 Q9UBN7 6/20 0.72
HDAC3 O15379 5/20 0.72
HDAC4 P56524 5/20 0.72
HDAC7 Q8WUI4 5/20 0.72
HDAC2 Q92769 5/20 0.72
HDAC10 Q969S8 5/20 0.72
HDAC11 Q96DB2 5/20 0.72
HDAC8 Q9BY41 5/20 0.72
HDAC9 Q9UKV0 5/20 0.72
HDAC5 Q9UQL6 5/20 0.72
PKM P14618 4/20 0.54
CHRM4 P08173 1/20 0.51
EPHX2 P34913 2/20 0.51
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL4924965 0.88 HDAC3 (0.74) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4916258 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4926584 0.85 HDAC3 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4929026 0.85 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4926463 0.84 HDAC3 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4925628 0.84 HDAC1 (0.82) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4921241 0.82 HDAC3 (0.82) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4926485 0.80 HDAC3 (0.79) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4927416 0.80 HDAC3 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4924068 0.78 HDAC3 (0.79) HDAC1HDAC6HDAC3HDAC4HDAC7

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
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 HDAC1 1/4885HDAC6 11/4885HDAC3 8/4885

“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.