SCHEMBL2403216

SCHEMBL2403216

O=C(/C=C/c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1)NO

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.76
HDAC3 O15379 12/20 0.76
HDAC1 Q13547 10/20 0.76
HDAC8 Q9BY41 10/20 0.76
HDAC5 Q9UQL6 7/20 0.76
HDAC4 P56524 4/20 0.76
HDAC2 Q92769 8/20 0.70
HDAC10 Q969S8 1/20 0.59
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KDM1A O60341 3/20 0.52
MAOA P21397 1/20 0.52
HDAC7 Q8WUI4 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
CNR2 P34972 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
SCHEMBL2403223 1.00 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2402850 0.88 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2406270 0.88 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2406273 0.88 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2402847 0.88 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2404885 0.88 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2404883 0.88 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2403825 0.87 HDAC6 (0.68) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL2403827 0.87 HDAC6 (0.68) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL7935105 0.87 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC8HDAC5

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 7 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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 US disclosed
WO-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 WO disclosed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US disclosed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US disclosed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US disclosed
WO-2010043953-A2 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-04-22 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 (2 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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC6 10/4885HDAC3 5/4885HDAC1 1/4885
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.