SCHEMBL975476

SCHEMBL975476

CCOC(=O)c1ccccc1-c1cccc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(-c3cccs3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 8/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CCKAR P32238 1/20 0.37
HTR5A P47898 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL977619 0.83 ALDH1A1 (0.41) MAPTGAAKMT2AHDAC3HDAC1
SCHEMBL975474 0.79 HDAC1 (0.47) HDAC3HDAC1HDAC2POLBTSHR
SCHEMBL4579772 0.78 NPC1 (0.42) MAPTGAAKMT2AALDH1A1HPGD
SCHEMBL2205914 0.76 HDAC1 (0.54) HDAC3HDAC1HDAC2
SCHEMBL5767875 0.75 GPR119 (0.42) MAPTGAAKMT2AHDAC3HDAC1
SCHEMBL4580585 0.75 FFAR1 (0.50) MAPTKMT2AHDAC1ALDH1A1KDM4E
SCHEMBL4518353 0.75 GPR119 (0.40) KMT2AHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL975273 0.74 TSHR (0.49) MAPTGAAKMT2AALDH1A1HPGD
SCHEMBL2207150 0.74 HDAC1 (0.42) HDAC1HDAC2ALDH1A1POLB
SCHEMBL4505385 0.74 GPR119 (0.41) HDAC3HDAC1HDAC2ALDH1A1HTR1A

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 5 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-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
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

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 MAPT 2336/4885GAA 245/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MAPT 2336/4885GAA 245/4885KMT2A 60/4885

“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.