SCHEMBL7365312

SCHEMBL7365312

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.73
HDAC3 O15379 11/20 0.73
HDAC2 Q92769 11/20 0.73
HDAC6 Q9UBN7 11/20 0.73
HDAC8 Q9BY41 11/20 0.73
HDAC10 Q969S8 9/20 0.73
HDAC11 Q96DB2 9/20 0.73
HDAC4 P56524 7/20 0.73
HDAC7 Q8WUI4 7/20 0.73
HDAC9 Q9UKV0 7/20 0.73
HDAC5 Q9UQL6 7/20 0.73
NCOR1 O75376 1/20 0.73
NCOR2 Q9Y618 1/20 0.53
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 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
SCHEMBL23054850 0.92 EPHX2 (0.61) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7367641 0.86 HDAC3 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7369311 0.86 HDAC3 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL15480407 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4096977 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7365808 0.85 HDAC3 (0.73) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7371291 0.85 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL5547454 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7399320 0.85 HDAC3 (0.73) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL8180029 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6HDAC8

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 6/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 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.