SCHEMBL5943959

SCHEMBL5943959

CNC(=O)c1cccc(-c2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.72
HDAC8 Q9BY41 7/20 0.72
HDAC2 Q92769 1/20 0.65
PARP1 P09874 1/20 0.60
CRBN Q96SW2 1/20 0.56
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HDAC1 Q13547 5/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CYP17A1 P05093 1/20 0.51
CYP3A4 P08684 1/20 0.51
CDK8 P49336 1/20 0.50
KDM4E B2RXH2 1/20 0.50
EGLN2 Q96KS0 1/20 0.50
PDK2 Q15119 1/20 0.49

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
SCHEMBL3037788 0.93 HDAC8 (0.82) HDAC6HDAC8HDAC2PARP1CRBN
SCHEMBL9056834 0.93 CRBN (0.61) HDAC6HDAC8HDAC2PARP1CRBN
SCHEMBL13702375 0.86 HDAC8 (0.68) HDAC6HDAC8HDAC2CRBNHDAC1
SCHEMBL12168604 0.85 EPHX2 (0.60) HDAC6HDAC8CRBNPOLBMAPT
SCHEMBL723332 0.84 HDAC8 (0.70) HDAC6HDAC8HDAC2CRBNHDAC1
SCHEMBL14507774 0.84 PLAU (0.54) HDAC6HDAC8PARP1CRBNMKNK1
SCHEMBL3617485 0.84 CRBN (0.56) HDAC6HDAC8CRBNMKNK1MKNK2
SCHEMBL14210412 0.83 CRBN (0.58) HDAC6HDAC8CRBNPOLBMAPT
SCHEMBL15638622 0.83 MEN1 (0.62) HDAC6HDAC8CRBNPOLBMAPT
SCHEMBL13702395 0.83 AOC3 (0.54) HDAC6HDAC8HDAC2CRBNMKNK1

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.