SCHEMBL5943953

SCHEMBL5943953

O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.71
FABP1 P07148 4/20 0.71
PARP1 P09874 1/20 0.70
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC2 Q92769 2/20 0.59
PTPN1 P18031 3/20 0.58
PKM P14618 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
HDAC1 Q13547 2/20 0.56

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
SCHEMBL5944076 0.91 PARP1 (0.74) P2RY14FABP1PARP1HDAC8HDAC6
SCHEMBL5943868 0.87 P2RY14 (0.77) P2RY14FABP1PARP1PTPN1PKM
SCHEMBL31018815 0.86 FABP1 (0.67) P2RY14FABP1HDAC2PTPN1PKM
SCHEMBL2719018 0.86 P2RY14 (0.89) P2RY14FABP1PTPN1PKML3MBTL1
SCHEMBL5943876 0.85 PARP1 (0.62) P2RY14FABP1PARP1HDAC8HDAC6
SCHEMBL5031589 0.85 FABP1 (0.73) P2RY14FABP1PARP1PTPN1PKM
SCHEMBL5944168 0.84 P2RY14 (0.72) P2RY14FABP1PARP1HDAC8HDAC6
SCHEMBL5943989 0.83 HDAC6 (0.66) P2RY14FABP1PARP1HDAC8HDAC6
SCHEMBL31018807 0.83 FABP1 (0.79) P2RY14FABP1PTPN1PKML3MBTL1
SCHEMBL16168063 0.83 P2RY14 (0.66) P2RY14FABP1PARP1PTPN1PKM

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 P2RY14 4746/4885FABP1 1686/4885PARP1 170/4885

“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.