SCHEMBL5943928

SCHEMBL5943928

COC(=O)c1ccc(-c2cc(CN(C)C)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.51
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5944089 0.81 LOXL2 (0.45) ERN1MAPTALDH1A1CA12CA1
SCHEMBL5943969 0.80 ERN1 (0.48) ERN1POLBMEN1KMT2AMAPT
SCHEMBL3021443 0.78 POLB (0.73) ERN1POLBMEN1KMT2AMAPT
SCHEMBL1318407 0.78 HSD17B2 (0.54) MAPTALDH1A1SMN1; SMN2
SCHEMBL5943996 0.78 NPC1 (0.59) ERN1POLBMEN1KMT2AMAPT
SCHEMBL5943743 0.77 ERN1 (0.59) ERN1POLBMEN1KMT2AMAPT
SCHEMBL1495614 0.76 TDP1 (0.47) ERN1POLBMAPTALDH1A1
SCHEMBL3913268 0.76 PLG (0.59) ERN1POLBMEN1KMT2AMAPT
SCHEMBL29441683 0.76 PLG (0.59) ERN1POLBMEN1KMT2AMAPT
SCHEMBL311833 0.75 MEN1 (0.53) ERN1POLBMEN1KMT2AMAPT

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 ERN1 2915/4885POLB 303/4885MEN1 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.