SCHEMBL4580299

SCHEMBL4580299

COc1cc2cc(C(=O)Nc3cc(-c4ccccc4)ccc3N)sc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 15/20 0.56
HDAC1 Q13547 6/20 0.55
HDAC3 O15379 4/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.49

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
SCHEMBL6288990 0.88 HDAC1 (0.51) HDAC2HDAC1HDAC3POLB
SCHEMBL1066361 0.85 HDAC1 (0.62) HDAC2HDAC1HDAC3
SCHEMBL1590145 0.80 CHEK1 (0.59) HDAC2HDAC1HDAC3MEN1POLB
SCHEMBL13556367 0.79 HDAC3 (0.59) HDAC2HDAC1HDAC3MEN1POLB
SCHEMBL4580130 0.79 HDAC2 (0.57) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL1589580 0.78 TSHR (0.60) HDAC2HDAC1HDAC3KMT2A
SCHEMBL13556359 0.76 CLK1 (0.51) HDAC2HDAC1HDAC3POLB
SCHEMBL6288992 0.76 STING1 (0.56) HDAC2HDAC1HDAC3
SCHEMBL12933378 0.73 HDAC2 (0.93) HDAC2HDAC1HDAC3
SCHEMBL10400717 0.73 HDAC1 (0.80) HDAC2HDAC1HDAC3

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 8 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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
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 HDAC2 5/4885HDAC1 1/4885HDAC3 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.