SCHEMBL1060973

SCHEMBL1060973

Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 1.00
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
KDM4E B2RXH2 1/20 0.74
HTT P42858 1/20 0.74
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
GFER P55789 1/20 0.67
KMT2A Q03164 1/20 0.62
HDAC3 O15379 5/20 0.58
NCOR1 O75376 5/20 0.58
HDAC2 Q92769 5/20 0.58
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
SCHEMBL210659 0.89 HDAC1 (0.80) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL210434 0.89 HDAC1 (0.80) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL2733018 0.88 HDAC1 (0.79) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL211356 0.82 HDAC1 (0.69) HDAC1MAPTLMNA
SCHEMBL209426 0.81 HDAC1 (0.68) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL1066177 0.81 HDAC1 (1.00) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL1062991 0.80 HDAC1 (1.00) HDAC1MAPTHDAC3NCOR1HDAC2
SCHEMBL4972632 0.80 HDAC1 (0.78) HDAC1KDM4ENPC1RAB9AKMT2A
SCHEMBL10687158 0.79 NPC1 (0.79) HDAC1ALDH1A1MAPTKDM4EHTT
SCHEMBL1064818 0.78 HDAC1 (0.67) HDAC1HDAC3NCOR1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
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-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-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP 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-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
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-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 (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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885ALDH1A1 796/4885MAPT 2110/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885ALDH1A1 796/4885MAPT 2110/4885

“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.