SCHEMBL5943909

SCHEMBL5943909

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
PFKFB3 Q16875 2/20 0.62
POLB P06746 2/20 0.59
PARP1 P09874 1/20 0.58
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
KMT2A Q03164 3/20 0.56
KDM1A O60341 1/20 0.56
GPR55 Q9Y2T6 1/20 0.55
MEN1 O00255 2/20 0.54
PSMD14 O00487 1/20 0.54
FGB P02675 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
SCHEMBL5944227 0.89 STING1 (0.55) HDAC8HDAC2HDAC6PFKFB3POLB
SCHEMBL5944285 0.89 CYP19A1 (0.59) HDAC8HDAC2HDAC6PFKFB3POLB
SCHEMBL5944323 0.88 PGR (0.61) HDAC8HDAC2HDAC6PFKFB3POLB
SCHEMBL5943960 0.88 MEN1 (0.66) HDAC8HDAC2HDAC6POLBHDAC3
SCHEMBL5047573 0.86 MEN1 (0.70) HDAC8HDAC2HDAC6POLBHDAC3
SCHEMBL5943763 0.86 CYP19A1 (0.62) PFKFB3POLBKMT2AMEN1MAPT
SCHEMBL5944138 0.85 KMT2A (0.60) HDAC8HDAC2HDAC6POLBPARP1
SCHEMBL5943752 0.85 GAA (0.59) HDAC8HDAC2HDAC6PFKFB3HDAC3
SCHEMBL5944245 0.84 LNPEP (0.56) HDAC8HDAC2HDAC6PFKFB3POLB
SCHEMBL15480538 0.83 MEN1 (0.71) HDAC8HDAC2HDAC6HDAC3HDAC1

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 HDAC8 9/4885HDAC2 2/4885HDAC6 11/4885

“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.