SCHEMBL16302006

SCHEMBL16302006

O=C(NO)c1cnc(N2C[C@@H]3C2CN3c2cccc(S(F)(F)(F)(F)F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.42
HDAC3 O15379 19/20 0.42
HDAC1 Q13547 19/20 0.42
HDAC2 Q92769 19/20 0.42
HDAC4 P56524 18/20 0.42
HDAC7 Q8WUI4 18/20 0.42
HDAC10 Q969S8 18/20 0.42
HDAC11 Q96DB2 18/20 0.42
HDAC8 Q9BY41 18/20 0.42
HDAC9 Q9UKV0 18/20 0.42
HDAC5 Q9UQL6 18/20 0.42
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL18371376 1.00 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL7958854 0.87 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16302045 0.85 HDAC1 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8011347 0.85 HDAC1 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16302069 0.83 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16581065 0.83 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16302008 0.83 HDAC1 (0.53) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16302037 0.82 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL7997961 0.82 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16302041 0.82 ALOX15 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC6 9/4885HDAC3 14/4885HDAC1 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.