SCHEMBL5943978

SCHEMBL5943978

O=C(NO)c1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ERN1 O75460 2/20 0.58
HPGD P15428 10/20 0.57
MAPK1 P28482 2/20 0.57
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL5943950 0.87 HPGD (0.72) ERN1HPGDHDAC6HDAC8ALDH1A1
SCHEMBL23440313 0.84 HPGD (0.71) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL29699833 0.84 HPGD (0.71) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL18397598 0.84 HPGD (0.71) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL18397573 0.83 HPGD (0.74) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL28104146 0.83 HPGD (0.69) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL28504587 0.82 HPGD (0.72) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL18397576 0.82 HPGD (0.70) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL18397591 0.82 POLB (0.66) POLBERN1HPGDMAPK1ALDH1A1
SCHEMBL14508007 0.81 HPGD (0.61) POLBERN1HPGDMAPK1HDAC6

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 POLB 303/4885ERN1 2915/4885HPGD 188/4885

“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.