SCHEMBL5943986

SCHEMBL5943986

COc1ccc(C([NH])=O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
MAPT P10636 4/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
RAD52 P43351 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.57
KMT2A Q03164 4/20 0.55
TNFRSF1A P19438 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 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
SCHEMBL1917633 0.85 MAPT (0.66) NPC1MAPTALDH1A1HPGDABCG2
SCHEMBL31575666 0.84 NPC1 (0.79) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL285924 0.84 NPC1 (0.79) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL29402500 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL154613 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL29399711 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL4900211 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL4700333 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL246262 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL2553094 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52

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 NPC1 1981/4885MAPT 2763/4885ALDH1A1 1478/4885

“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.