SCHEMBL974923

SCHEMBL974923

COC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.73
CDC7 O00311 7/20 0.64
DBF4 Q9UBU7 7/20 0.64
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGDR2 Q9Y5Y4 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RORC P51449 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 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
SCHEMBL6282306 0.85 TRPM8 (0.57) TRPM8CDC7DBF4CCNE1CDK2
SCHEMBL15048954 0.84 TRPM8 (1.00) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL8339659 0.84 TRPM8 (0.73) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL276196 0.84 NTRK1 (0.57) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL4503056 0.84 CDC7 (0.88) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL19669120 0.83 ALDH1A1 (0.72) TRPM8ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13674669 0.83 TRPM8 (0.71) TRPM8CDC7DBF4ALDH1A1KDM4E
Methane SCHEMBL9629328 0.83 TRPM8 (0.97) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL1726531 0.83 TRPM8 (0.71) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL11278098 0.83 LMNA (0.64) TRPM8ALDH1A1SMN1; SMN2NPSR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TRPM8 3835/4885CDC7 2481/4885DBF4 1443/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TRPM8 3835/4885CDC7 2481/4885DBF4 1443/4885

“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.