SCHEMBL209386

SCHEMBL209386

COC(=O)c1ccc(CSc2nc3ccc(NC(=O)CN(C)C)cc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.62
POLB P06746 1/20 0.62
TP53 P04637 4/20 0.61
LMNA P02545 5/20 0.57
THRB P10828 1/20 0.56
PKM P14618 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RECQL P46063 1/20 0.51

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
SCHEMBL211621 0.90 MAPT (0.67) MAPTPOLBTP53LMNATHRB
SCHEMBL2733017 0.83 CYP1A2 (0.58) MAPTPOLBTP53LMNATHRB
SCHEMBL211356 0.83 HDAC1 (0.69) MAPTPOLBTP53LMNAPKM
SCHEMBL14439016 0.81 CYP1A2 (0.62) MAPTPOLBTP53LMNATHRB
SCHEMBL1060971 0.80 CYP1A2 (0.67) MAPTPOLBTP53LMNACYP1A2
SCHEMBL210098 0.77 CYP1A2 (0.53) MAPTPOLBTP53LMNATHRB
SCHEMBL210097 0.77 CYP1A2 (0.53) MAPTPOLBTP53LMNATHRB
SCHEMBL1065942 0.76 HDAC1 (0.70) MAPTPOLBTP53LMNATHRB
SCHEMBL210846 0.76 HDAC1 (0.61) MAPTPOLBTP53LMNATHRB
SCHEMBL1064126 0.74 HDAC1 (0.71) MAPTPOLBTP53LMNATHRB

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 13 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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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
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 MAPT 3612/4885POLB 450/4885TP53 86/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3905/4885POLB 343/4885TP53 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.