SCHEMBL2404010

SCHEMBL2404010

O=C(/C=C/c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1)NO

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.59
HDAC1 Q13547 10/20 0.59
HDAC3 O15379 10/20 0.59
HDAC2 Q92769 6/20 0.59
KDM1A O60341 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58
MAOA P21397 1/20 0.58
HDAC8 Q9BY41 8/20 0.53
HDAC4 P56524 3/20 0.53
HDAC10 Q969S8 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL2404016 1.00 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2403296 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2403303 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2403230 0.83 HDAC1 (0.58) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL12318191 0.83 HDAC1 (0.58) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2404698 0.83 HDAC1 (0.61) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2404705 0.83 HDAC1 (0.61) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2404703 0.79 HDAC1 (0.54) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2403216 0.76 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC2KDM1A
SCHEMBL2403223 0.76 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC2KDM1A

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 HDAC6 8/4885HDAC1 1/4885HDAC3 10/4885

“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.