SCHEMBL211356

SCHEMBL211356

CN(C)CC(=O)Nc1ccc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.69
MAPT P10636 13/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 5/20 0.57
PKM P14618 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL2733018 0.84 HDAC1 (0.79) HDAC1MAPTLMNAPKMCTDSP1
SCHEMBL211621 0.84 MAPT (0.67) MAPTTP53LMNAPKMCTDSP1
SCHEMBL210434 0.83 HDAC1 (0.80) HDAC1MAPTLMNAPKMCTDSP1
SCHEMBL210659 0.83 HDAC1 (0.80) HDAC1MAPTLMNAPKMCTDSP1
SCHEMBL209386 0.83 MAPT (0.62) MAPTTP53LMNAPKMCTDSP1
SCHEMBL1060973 0.82 HDAC1 (1.00) HDAC1MAPTLMNA
SCHEMBL209426 0.81 HDAC1 (0.68) HDAC1MAPTLMNAPKMCTDSP1
SCHEMBL1066177 0.81 HDAC1 (1.00) HDAC1MAPTTP53LMNAPKM
SCHEMBL211355 0.80 HDAC1 (0.45) HDAC1
SCHEMBL1062991 0.80 HDAC1 (1.00) HDAC1MAPTLMNAPKMCTDSP1

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 1/4885MAPT 3612/4885TP53 86/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885MAPT 3905/4885TP53 115/4885

“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.