SCHEMBL974393

SCHEMBL974393

O=C(Nc1ccccc1)c1ccc(C(=O)NO)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 4/20 0.60
PARP1 P09874 1/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
PTPN1 P18031 2/20 0.54
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HDAC4 P56524 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PLAU P00749 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DEGS1 O15121 1/20 0.48

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
SCHEMBL975453 0.82 HDAC1 (0.56) HDAC8HDAC6HDAC2HDAC1HDAC7
SCHEMBL24578209 0.82 HDAC7 (0.60) HDAC8HDAC6HDAC1HDAC7CHRNB2
SCHEMBL25060939 0.79 HDAC7 (0.73) HDAC8HDAC6HDAC2HDAC1HDAC7
SCHEMBL24578216 0.79 HDAC7 (0.63) HDAC8HDAC6HDAC2HDAC1HDAC7
SCHEMBL13845066 0.79 ALDH1A1 (0.49) HDAC8HDAC6HDAC1HDAC7ALDH1A1
SCHEMBL975250 0.79 MAPT (0.53) L3MBTL1
SCHEMBL12922063 0.78 HDAC7 (0.71) HDAC8HDAC6HDAC1HDAC7PARP1
SCHEMBL24578228 0.77 HDAC7 (0.57) HDAC8HDAC6HDAC1HDAC7ALDH1A1
SCHEMBL14643098 0.77 HDAC8 (1.00) HDAC8HDAC6HDAC2HDAC1HDAC7
SCHEMBL25060944 0.77 HDAC7 (0.69) HDAC8HDAC6HDAC2HDAC1HDAC7

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 9 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-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
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 HDAC8 8/4885HDAC6 10/4885HDAC2 4/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC8 8/4885HDAC6 10/4885HDAC2 4/4885

“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.