SCHEMBL2404309

SCHEMBL2404309

O=C(/C=C/c1ccc(CNCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.68
HDAC3 O15379 16/20 0.68
HDAC6 Q9UBN7 13/20 0.68
HDAC2 Q92769 13/20 0.68
HDAC8 Q9BY41 14/20 0.53
HDAC5 Q9UQL6 12/20 0.53
HDAC4 P56524 9/20 0.53
HDAC10 Q969S8 7/20 0.53
HDAC7 Q8WUI4 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL2404316 1.00 HDAC1 (0.68) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404858 0.89 HDAC3 (0.68) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404865 0.89 HDAC3 (0.68) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404198 0.84 HDAC1 (0.78) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404193 0.84 HDAC1 (0.78) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404317 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2404324 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL8621356 0.80 HPGD (0.76) HPGDALDH1A1CYP17A1CYP19A1MEN1
SCHEMBL2405061 0.79 HDAC3 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL2405065 0.79 HDAC3 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC8

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 HDAC1 1/4885HDAC3 10/4885HDAC6 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.