SCHEMBL211197

SCHEMBL211197

CC(=O)c1cc2c(cc1NC(C)c1ccc(C(=O)Nc3ccccc3N)cc1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.59
HDAC2 Q92769 6/20 0.59
HDAC3 O15379 5/20 0.59
NCOR2 Q9Y618 4/20 0.59
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL1066305 0.81 ALDH1A1 (0.58) HDAC1HDAC2HDAC3NCOR2ALDH1A1
SCHEMBL4255278 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2ALDH1A1
SCHEMBL4255284 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2ALDH1A1
SCHEMBL1064675 0.76 HDAC1 (0.61) HDAC1HDAC2HDAC3NCOR2GAA
SCHEMBL24890548 0.73 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2
SCHEMBL24119315 0.72 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2NPC1
SCHEMBL5584020 0.72 HDAC1 (0.46) HDAC1HDAC2HDAC3NCOR2
SCHEMBL27406946 0.71 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2
SCHEMBL27406949 0.71 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2
SCHEMBL24890859 0.70 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885HDAC3 5/4885

“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.