SCHEMBL5943879

SCHEMBL5943879

O=C(NO)c1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
RAB9A P51151 9/20 0.65
NPC1 O15118 8/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 1/20 0.65
PKM P14618 2/20 0.64
ALDH1A1 P00352 2/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
PARP1 P09874 1/20 0.63
LMNA P02545 2/20 0.60
HSD17B10 Q99714 2/20 0.60
SETD7 Q8WTS6 1/20 0.60
CHRM3 P20309 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL5943885 0.86 RAB9A (0.70) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5943881 0.83 HDAC6 (0.61) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5944108 0.83 HDAC1 (0.77) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5944071 0.81 PARP1 (0.89) MEN1KMT2APARP1
SCHEMBL14107768 0.81 RAB9A (0.64) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5944297 0.80 NPC1 (0.53) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL18359200 0.80 NPC1 (0.68) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11238457 0.79 RAB9A (1.00) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3033853 0.79 NPC1 (0.78) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL108116 0.79 NPC1 (1.00) MAPTRAB9ANPC1SMN1; SMN2MEN1

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 4 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
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 MAPT 2763/4885RAB9A 4100/4885NPC1 1981/4885

“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.