SCHEMBL976364

SCHEMBL976364

COC(=O)c1sc(CN(C)Cc2ccccc2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ACHE P22303 9/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
BCHE P06276 2/20 0.42
HSD17B2 P37059 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL973792 0.85 HDAC1 (0.47) ALDH1A1ACHEHDAC3HDAC4HDAC1
SCHEMBL974530 0.83 CHRNB2 (0.45) ALDH1A1TRPM8HSD17B2MEN1KMT2A
SCHEMBL975603 0.82 ALDH1A1 (0.48) KDM4EALDH1A1TRPM8MEN1KMT2A
SCHEMBL976954 0.75 EPHX1 (0.47) KDM4EALDH1A1HDAC1TRPM8BCHE
SCHEMBL976279 0.73 ALDH1A1 (0.50) KDM4EALDH1A1TRPM8MEN1KMT2A
SCHEMBL977550 0.73 MAPT (0.65) KDM4EALDH1A1TRPM8MEN1KMT2A
SCHEMBL974896 0.72 ALDH1A1 (0.42) KDM4EALDH1A1TRPM8MEN1KMT2A
SCHEMBL12922082 0.72 ALDH1A1 (0.42) KDM4EALDH1A1TRPM8MEN1KMT2A
SCHEMBL13052122 0.71 ACHE (0.66) KDM4EALDH1A1ACHEBCHEMEN1
SCHEMBL2838904 0.71 RORC (0.43) ALDH1A1ACHEHSD17B2MEN1KMT2A

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 KDM4E 165/4885ALDH1A1 699/4885ACHE 1157/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 KDM4E 165/4885ALDH1A1 699/4885ACHE 1157/4885

“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.