SCHEMBL4580123

SCHEMBL4580123

CN(C)CCOC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.52
HDAC2 Q92769 3/20 0.45
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4579670 0.90 HDAC1 (0.67) HDAC1HDAC2BCHE
SCHEMBL4579935 0.84 HDAC1 (0.57) HDAC1HDAC2
SCHEMBL4580614 0.79 HDAC1 (0.48) HDAC1HDAC2BCHE
SCHEMBL4579865 0.78 HDAC1 (0.53) HDAC1HDAC2BCHE
SCHEMBL4580638 0.77 BCHE (0.43) HDAC1BCHEALDH1A1MAPT
SCHEMBL4578699 0.77 HDAC1 (0.54) HDAC1HDAC2BCHE
SCHEMBL4581147 0.76 HDAC1 (0.66) HDAC1HDAC2BCHEALDH1A1CYP1A2
SCHEMBL4579680 0.76 BCHE (0.43) HDAC1BCHEALDH1A1MAPT
SCHEMBL4577896 0.76 HDAC1 (0.65) HDAC1HDAC2
SCHEMBL4578122 0.75 HDAC2 (0.56) HDAC1HDAC2

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 7 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

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 5/4885BCHE 2823/4885

“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.