SCHEMBL973792

SCHEMBL973792

CN(Cc1ccccc1)Cc1cc(-c2ccccc2)c(C(=O)NO)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
ACKR3 P25106 5/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL976364 0.85 KDM4E (0.46) HDAC1HDAC6HDAC3HDAC4MEN1
SCHEMBL975815 0.82 CHRNB2 (0.44) HDAC1HDAC6MEN1ALDH1A1KMT2A
SCHEMBL976475 0.82 HDAC6 (0.44) HDAC1HDAC6HDAC4MEN1ALDH1A1
SCHEMBL975895 0.73 EPHX1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC8
SCHEMBL28794253 0.72 HDAC1 (0.42) HDAC1ACKR3MEN1KMT2AACHE
SCHEMBL15465579 0.71 MGLL (0.45) HDAC1HDAC6HDAC3HDAC4HDAC8
SCHEMBL976932 0.71 HDAC1 (0.56) HDAC1MEN1ALDH1A1KMT2AHDAC8
SCHEMBL2838904 0.71 RORC (0.43) MEN1ALDH1A1KMT2AACHE
SCHEMBL974530 0.69 CHRNB2 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL2839636 0.69 MEN1 (0.43) HDAC1HDAC6HDAC3HDAC4MEN1

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 HDAC1 1/4885HDAC6 10/4885HDAC3 3/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 10/4885HDAC3 3/4885

“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.