SCHEMBL4579059

SCHEMBL4579059

CN(CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3cccs3)c2)cc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.41
HDAC2 Q92769 10/20 0.41
HDAC3 O15379 9/20 0.41
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CCKAR P32238 1/20 0.39
HTR5A P47898 1/20 0.39
BCHE P06276 1/20 0.37
DGAT1 O75907 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4578547 0.84 HDAC1 (0.43) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4579052 0.81 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4580216 0.80 BCHE (0.47) BCHE
SCHEMBL4578187 0.79 HDAC1 (0.44) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4579943 0.78 BCHE (0.47) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4579949 0.78 HDAC1 (0.41) HDAC1HDAC2HDAC3HTR1AADORA3
SCHEMBL4580365 0.78 BCHE (0.45) HDAC2BCHE
SCHEMBL4580090 0.77 HDAC1 (0.59) HDAC1HDAC2HDAC3KMT2AHDAC4
SCHEMBL4581155 0.77 BCHE (0.57) HTR1ABCHEMAPTSMN1; SMN2
SCHEMBL4579714 0.76 HDAC1 (0.44) HDAC1HDAC2HDAC3KMT2ASMN1; SMN2

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
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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 (1 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 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.