SCHEMBL4579489

SCHEMBL4579489

COc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccccc4)ccc3N)oc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.51
HDAC2 Q92769 10/20 0.51
HDAC3 O15379 9/20 0.51
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4579503 0.93 HDAC1 (0.50) HDAC1HDAC2HDAC3RXFP1
SCHEMBL14156010 0.86 HDAC1 (0.50) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL4579727 0.79 HDAC1 (0.54) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL14155998 0.79 HDAC2 (0.49) HDAC1HDAC2HDAC3
SCHEMBL4579730 0.78 HDAC1 (0.79) HDAC1HDAC2HDAC3RAB9A
SCHEMBL4580130 0.76 HDAC2 (0.57) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL4579712 0.74 HDAC1 (0.55) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL4581240 0.74 HDAC1 (0.55) HDAC1HDAC2HDAC3SMN1; SMN2NPC1
SCHEMBL4580334 0.74 HDAC2 (0.58) HDAC1HDAC2HDAC3
SCHEMBL4579920 0.70 HDAC1 (0.67) HDAC1HDAC2HDAC3NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885

“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.