SCHEMBL7367459

SCHEMBL7367459

O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC3 O15379 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC6 Q9UBN7 15/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
HDAC10 Q969S8 13/20 1.00
NCOR1 O75376 2/20 0.83
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.55
NR1I2 O75469 1/20 0.55
EGFR P00533 1/20 0.55
CYP3A4 P08684 1/20 0.55
LTA4H P09960 1/20 0.55
NR0B1 P51843 1/20 0.55
PLK1 P53350 1/20 0.55

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
SCHEMBL2702892 0.91 HDAC4 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7367562 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7373037 0.86 HDAC4 (0.79) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7371497 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7373722 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7367641 0.84 HDAC3 (0.75) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7369311 0.84 HDAC3 (0.75) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7399320 0.82 HDAC3 (0.73) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7365808 0.82 HDAC3 (0.73) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL7372308 0.82 HDAC3 (0.73) HDAC1HDAC3HDAC8HDAC6HDAC2

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 1/4885HDAC3 6/4885HDAC8 9/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 11/4885

“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.