SCHEMBL5943942

SCHEMBL5943942

O=C(NO)c1ccc(-c2cccc(CNC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.76
HDAC8 Q9BY41 4/20 0.76
HDAC2 Q92769 3/20 0.76
HDAC1 Q13547 3/20 0.76
HDAC3 O15379 1/20 0.76
HDAC4 P56524 1/20 0.76
HDAC7 Q8WUI4 1/20 0.76
HDAC10 Q969S8 1/20 0.76
HDAC11 Q96DB2 1/20 0.76
HDAC9 Q9UKV0 1/20 0.76
HDAC5 Q9UQL6 1/20 0.76
EGFR P00533 2/20 0.64
SENP1 Q9P0U3 1/20 0.63
EPHX2 P34913 2/20 0.63
NR1H4 Q96RI1 2/20 0.63
CFD P00746 1/20 0.61
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
MAP4K4 O95819 1/20 0.58
PRKCG P05129 1/20 0.58

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
SCHEMBL5943747 0.93 HDAC6 (0.79) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5726547 0.91 CFD (0.71) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3029694 0.89 HDAC8 (0.67) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3025457 0.88 HDAC6 (0.91) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5944120 0.88 HDAC1 (0.73) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5943722 0.87 HDAC8 (0.72) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3031649 0.87 HDAC8 (0.85) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6386658 0.87 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5943848 0.85 HDAC8 (0.72) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6183707 0.84 ERN1 (0.61) HDAC6HDAC8HDAC2HDAC1HDAC3

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
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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 (1 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HDAC6 11/4885HDAC8 9/4885HDAC2 2/4885

“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.