SCHEMBL211404

SCHEMBL211404

Cc1c(Cc2ccc(C(=O)O)cc2)sc(N)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
GRM6 O15303 1/20 0.43
SRD5A2 P31213 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
AR P10275 2/20 0.41
ADORA2A P29274 1/20 0.40
CISD2 Q8N5K1 1/20 0.39

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
SCHEMBL14424420 0.83 SRD5A2 (0.41) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL1064297 0.80 MAPT (0.50) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL2734086 0.76 ALDH1A1 (0.48) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL23827453 0.71 GRM6 (0.55) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL1622057 0.70 ADORA2A (0.48) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL23827451 0.69 ALDH1A1 (0.81) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL1313857 0.69 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL23827459 0.69 GRM6 (0.52) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL23827445 0.69 GRM6 (0.52) ALDH1A1MAPTHPGDHSD17B10NPSR1
SCHEMBL23827463 0.68 GRM6 (0.51) ALDH1A1MAPTHPGDHSD17B10NPSR1

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 26 patents — showing the first 20. 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-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
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-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-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 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
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
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
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 (3 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-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885MAPT 2110/4885HPGD 1023/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885MAPT 3612/4885HPGD 1120/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885MAPT 2110/4885HPGD 1023/4885

“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.