SCHEMBL1060972

SCHEMBL1060972

Nc1ccccc1NC(=O)c1ccc(C(S)c2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.58
HDAC2 Q92769 7/20 0.51
HDAC3 O15379 6/20 0.51
SCD O00767 1/20 0.51
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.48
NCOR2 Q9Y618 4/20 0.47
PTGS1 P23219 1/20 0.45

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
SCHEMBL211355 0.81 HDAC1 (0.45) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL209425 0.81 HDAC1 (0.44) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1066174 0.80 HDAC1 (0.68) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1062989 0.79 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1064816 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1066750 0.77 HDAC1 (0.70) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1060856 0.76 HDAC1 (0.59) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1062264 0.74 HDAC1 (0.60) HDAC1HDAC2HDAC3MAPK1NCOR2
SCHEMBL4972632 0.74 HDAC1 (0.78) HDAC1HDAC2HDAC3MEN1NPC1
SCHEMBL3560642 0.74 HDAC1 (0.56) HDAC1HDAC2HDAC3MAPK1NCOR2

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
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-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
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US 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 1/4885HDAC2 5/4885HDAC3 3/4885
US-20060058298-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.