SCHEMBL7372007

SCHEMBL7372007

O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.70
HDAC6 Q9UBN7 12/20 0.70
HDAC3 O15379 11/20 0.70
HDAC2 Q92769 11/20 0.70
HDAC10 Q969S8 11/20 0.70
HDAC11 Q96DB2 11/20 0.70
HDAC8 Q9BY41 11/20 0.70
HDAC4 P56524 9/20 0.70
HDAC7 Q8WUI4 9/20 0.70
HDAC9 Q9UKV0 9/20 0.70
HDAC5 Q9UQL6 9/20 0.70
NCOR1 O75376 1/20 0.70
NCOR2 Q9Y618 2/20 0.59
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL29893395 0.84 GAA (0.62) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL7371465 0.84 HDAC3 (0.71) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL7374764 0.83 HDAC6 (0.73) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL16010975 0.83 EGFR (0.63) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2702892 0.83 HDAC4 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL7367562 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL7364423 0.82 HDAC1 (0.78) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL30087930 0.81 GAA (0.62) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL22743026 0.81 L3MBTL1 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL21805191 0.81 GAA (0.62) HDAC1HDAC6HDAC3HDAC2HDAC10

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-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 11/4885HDAC3 6/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 7/4885HDAC3 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.