SCHEMBL7367641

SCHEMBL7367641

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.75
HDAC1 Q13547 10/20 0.75
HDAC2 Q92769 10/20 0.75
HDAC6 Q9UBN7 10/20 0.75
HDAC10 Q969S8 8/20 0.75
HDAC11 Q96DB2 8/20 0.75
HDAC8 Q9BY41 8/20 0.75
HDAC4 P56524 7/20 0.75
HDAC7 Q8WUI4 7/20 0.75
HDAC9 Q9UKV0 7/20 0.75
HDAC5 Q9UQL6 7/20 0.75
NCOR1 O75376 1/20 0.75
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NSD2 O96028 1/20 0.54
ABL1 P00519 1/20 0.54
LMNA P02545 1/20 0.54
RIN1 Q13671 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
SCHEMBL7369311 0.88 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7374764 0.86 HDAC6 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7365808 0.86 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7372308 0.86 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7399320 0.86 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7365312 0.86 HDAC1 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2702892 0.86 HDAC4 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7368815 0.84 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7367459 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL7371291 0.83 HDAC1 (0.73) HDAC3HDAC1HDAC2HDAC6HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP claimed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO 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 HDAC3 6/4885HDAC1 1/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 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.