SCHEMBL5943950

SCHEMBL5943950

O=C(NO)c1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
RAB9A P51151 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
ERN1 O75460 2/20 0.60
PLK4 O00444 1/20 0.56
JAK2 O60674 1/20 0.56
MAP4K4 O95819 1/20 0.56
ROS1 P08922 1/20 0.56
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
MARK3 P27448 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
CLK2 P49760 1/20 0.56
CSNK1G2 P78368 1/20 0.56
MAP4K2 Q12851 1/20 0.56
ROCK1 Q13464 1/20 0.56
NTRK3 Q16288 1/20 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
SCHEMBL5943978 0.87 POLB (0.62) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL7222464 0.85 HPGD (0.78) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL28860346 0.84 HPGD (1.00) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL4248924 0.83 HPGD (0.73) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL5943740 0.83 PARP1 (0.55) HPGDRAB9AKMT2AHDAC6HDAC8
SCHEMBL14508043 0.82 HPGD (0.71) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL10090793 0.81 RAB9A (0.67) HPGDRAB9AMEN1KMT2AL3MBTL1
SCHEMBL5944243 0.81 NPC1 (0.60) HPGDRAB9AMEN1KMT2AHDAC6
SCHEMBL4245858 0.81 HPGD (0.74) HPGDRAB9AMEN1KMT2AERN1
SCHEMBL13701681 0.81 HPGD (0.62) HPGDRAB9AMEN1KMT2AERN1

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 3 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 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 HPGD 188/4885RAB9A 4100/4885MEN1 4206/4885

“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.