SCHEMBL7367562

SCHEMBL7367562

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC6 Q9UBN7 18/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC3 O15379 16/20 1.00
HDAC10 Q969S8 15/20 1.00
HDAC11 Q96DB2 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
NCOR1 O75376 1/20 0.77
NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL7365712 0.89 HDAC1 (0.80) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7368436 0.88 HDAC1 (0.78) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7367459 0.88 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL2702892 0.87 HDAC4 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7371472 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7366696 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7372528 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7368470 0.86 HDAC1 (0.75) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL7361932 0.86 HDAC1 (0.74) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL1067946 0.85 HDAC6 (0.81) HDAC1HDAC6HDAC2HDAC3HDAC10

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 4 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
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC6 11/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 7/4885HDAC2 4/4885

“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.