SCHEMBL4982200

SCHEMBL4982200

Nc1ccccc1NC(=O)c1ccc(C[S+]([O-])c2nc3ccccc3n2C2CCCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.43
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
GCGR P47871 1/20 0.39
PDE9A O76083 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
SCHEMBL5528685 0.84 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8
SCHEMBL5521419 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2
SCHEMBL4979090 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5524801 0.82 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5527059 0.79 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3538371 0.77 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3538368 0.77 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4979149 0.72 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL15575604 0.71 ITK (0.62) HDAC1HDAC3HDAC8HDAC6
SCHEMBL4975416 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US claimed
EP-1976835-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-10-08 EP disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 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 (1 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-20070173527-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC2 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.