SCHEMBL975732

SCHEMBL975732

COc1ncccc1-c1ccccc1C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 4/20 0.46
MAPT P10636 2/20 0.46
DHODH Q02127 1/20 0.45
BTK Q06187 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
EIF4E P06730 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL18533727 0.87 GAA (0.53) HDAC6KMT2AL3MBTL1HDAC8TDP1
SCHEMBL7899073 0.84 DHODH (0.56) KMT2AL3MBTL1TDP1GAAMAPT
SCHEMBL3026631 0.78 GAA (0.64) HDAC6KMT2AL3MBTL1HDAC3HDAC1
SCHEMBL974110 0.78 CTSD (0.53) KMT2AHDAC1HDAC8GAASMN1; SMN2
SCHEMBL1515916 0.74 GAA (0.53) KMT2ATDP1GAAMAPTSMN1; SMN2
SCHEMBL311206 0.74 TDP1 (0.69) L3MBTL1TDP1GAAMAPTSMN1; SMN2
SCHEMBL10668402 0.74 BTK (0.49) TDP1MAPTDHODHBTKSMN1; SMN2
SCHEMBL6092497 0.73 KMT2A (0.49) KMT2AL3MBTL1TDP1GAAMAPT
SCHEMBL949562 0.73 TDP1 (0.50) KMT2AL3MBTL1TDP1GAAMAPT
SCHEMBL30623889 0.73 ALDH1A1 (0.66) KMT2AL3MBTL1TDP1GAAMAPT

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 10 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
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 HDAC6 10/4885KMT2A 60/4885L3MBTL1 610/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC6 10/4885KMT2A 60/4885L3MBTL1 610/4885

“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.