SCHEMBL16474100

SCHEMBL16474100

O=C(/C=C/c1ccc(CN2c3ccccc3CCc3ccccc32)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.70
HDAC1 Q13547 14/20 0.61
HDAC8 Q9BY41 11/20 0.61
HDAC2 Q92769 10/20 0.61
HDAC3 O15379 9/20 0.61
HDAC5 Q9UQL6 6/20 0.61
NCOR2 Q9Y618 1/20 0.61
HDAC4 P56524 8/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
KCNH2 Q12809 1/20 0.54
POLB P06746 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
SCHEMBL28160678 0.85 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1365321 0.83 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1365323 0.83 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1365734 0.80 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL8241949 0.78 HDAC1 (0.67) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1486886 0.76 HDAC1 (0.69) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL724056 0.76 HDAC1 (0.69) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL17425270 0.76 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL28688 0.75 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2732661 0.75 GPBAR1 (0.52) HDAC6HDAC1HDAC8HDAC2HDAC3

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-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 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-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC6 9/4885HDAC1 1/4885HDAC8 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.