SCHEMBL2403209

SCHEMBL2403209

O=C(/C=C/c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.71
HDAC6 Q9UBN7 8/20 0.71
HDAC1 Q13547 7/20 0.71
HDAC2 Q92769 3/20 0.71
KMT2A Q03164 3/20 0.63
MEN1 O00255 1/20 0.63
HDAC8 Q9BY41 6/20 0.60
HDAC5 Q9UQL6 5/20 0.60
HDAC4 P56524 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC10 Q969S8 1/20 0.60
RAB9A P51151 1/20 0.59
EPHX2 P34913 2/20 0.53
POLB P06746 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
SCHEMBL2407868 1.00 HDAC3 (0.71) HDAC3HDAC6HDAC1HDAC2KMT2A
SCHEMBL2404865 0.84 HDAC3 (0.68) HDAC3HDAC6HDAC1HDAC2KMT2A
SCHEMBL2404858 0.84 HDAC3 (0.68) HDAC3HDAC6HDAC1HDAC2KMT2A
SCHEMBL2406273 0.84 HDAC6 (0.61) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL2406270 0.84 HDAC6 (0.61) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL2404317 0.83 HDAC1 (1.00) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL2404324 0.83 HDAC1 (1.00) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL7943279 0.81 HDAC3 (0.64) HDAC3HDAC6HDAC1HDAC2KMT2A
SCHEMBL2404272 0.81 HDAC3 (0.64) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL2404193 0.81 HDAC1 (0.78) HDAC3HDAC6HDAC1HDAC2HDAC8

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 2 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
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 HDAC3 10/4885HDAC6 8/4885HDAC1 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.