SCHEMBL1064751

SCHEMBL1064751

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2cccc(C=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
NAT1 P18440 1/20 0.46
CYP17A1 P05093 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DHODH Q02127 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
HDAC2 Q92769 3/20 0.41
F10 P00742 1/20 0.41
PDCD1 Q15116 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
SCHEMBL1065454 0.86 F10 (0.49) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL26508647 0.82 CYP17A1 (0.53) HDAC1TRIM24TRIM33CYP17A1HDAC2
SCHEMBL2733420 0.81 KMT2A (0.59) HDAC1TRIM24TRIM33NAT1NPC1
SCHEMBL5315917 0.79 HDAC1 (0.47) HDAC1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL2829960 0.79 CYP17A1 (0.56) HDAC1CYP17A1NPC1RAB9AMEN1
SCHEMBL30108117 0.78 CYP17A1 (0.55) HDAC1TRIM24TRIM33CYP17A1RXFP1
SCHEMBL26507051 0.78 CYP17A1 (0.55) HDAC1TRIM24TRIM33CYP17A1RXFP1
SCHEMBL30632218 0.78 CYP17A1 (0.55) HDAC1TRIM24TRIM33CYP17A1RXFP1
SCHEMBL3644091 0.78 HDAC1 (0.64) HDAC1HDAC2HDAC3
SCHEMBL2829176 0.78 POLB (0.56) HDAC1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885TRIM24 1615/4885TRIM33 1027/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885TRIM24 1615/4885TRIM33 1027/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885TRIM24 1615/4885TRIM33 1027/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885TRIM24 1615/4885TRIM33 1027/4885

“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.