SCHEMBL2406273

SCHEMBL2406273

O=C(C=Cc1ccc(CNC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.61
HDAC3 O15379 14/20 0.61
HDAC1 Q13547 13/20 0.61
HDAC2 Q92769 10/20 0.61
HDAC8 Q9BY41 12/20 0.61
HDAC5 Q9UQL6 11/20 0.61
HDAC4 P56524 8/20 0.61
HDAC10 Q969S8 5/20 0.53
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
LMNA P02545 1/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL2406270 1.00 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2403216 0.88 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2403223 0.88 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2407868 0.84 HDAC3 (0.71) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2403209 0.84 HDAC3 (0.71) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2404858 0.82 HDAC3 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2404865 0.82 HDAC3 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2406289 0.82 HDAC1 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2406292 0.82 HDAC1 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2404272 0.79 HDAC3 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US claimed
WO-2010043953-A2 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-04-22 WO claimed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HDAC6 8/4885HDAC3 10/4885HDAC1 1/4885

“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.