SCHEMBL211355

SCHEMBL211355

CN(C)CC(=O)Nc1ccc2nc(C(S)c3ccc(C(=O)Nc4ccccc4N)cc3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL211620 0.84 LDHA (0.46) CASP3SENP8SENP7SENP6NPC1
SCHEMBL1060972 0.81 HDAC1 (0.58) HDAC1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1066174 0.81 HDAC1 (0.68) HDAC1HDAC3HDAC2
SCHEMBL209425 0.80 HDAC1 (0.44) HDAC1NPC1RAB9AHDAC3HDAC2
SCHEMBL211356 0.80 HDAC1 (0.69) HDAC1
SCHEMBL1062989 0.79 HDAC1 (0.70) HDAC1HDAC3HDAC2
SCHEMBL1066750 0.78 HDAC1 (0.70) HDAC1NPC1RAB9AHDAC3HDAC2
SCHEMBL211322 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC2
SCHEMBL1062264 0.68 HDAC1 (0.60) HDAC1HDAC3HDAC2
SCHEMBL2759508 0.67 HDAC1 (0.51) HDAC1HDAC3HDAC2

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-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-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

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 1/4885CASP3 351/4885SENP8 2289/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CASP3 541/4885SENP8 2876/4885

“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.