SCHEMBL7369337

SCHEMBL7369337

O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 1.00
HDAC1 Q13547 16/20 1.00
HDAC3 O15379 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
AURKB Q96GD4 1/20 0.79
CES1 P23141 2/20 0.58
FAAH O00519 1/20 0.58
NCEH1 Q6PIU2 1/20 0.58

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
SCHEMBL7365677 0.91 HDAC4 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL7371190 0.81 HDAC3 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL7365180 0.79 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1067946 0.79 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL7373029 0.79 HDAC3 (0.65) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL7367228 0.79 HDAC3 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6386310 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037928 0.78 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037929 0.78 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5460436 0.76 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 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 (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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC6 11/4885HDAC1 1/4885HDAC3 6/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC6 7/4885HDAC1 1/4885HDAC3 3/4885

“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.