SCHEMBL4579392

SCHEMBL4579392

O=C(NN(C(=O)O)c1ccc(-c2cccs2)cc1)c1ccc(CCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
HDAC1 Q13547 9/20 0.45
DRD4 P21917 8/20 0.44
DRD2 P14416 6/20 0.44
HTR2A P28223 6/20 0.44
CHRM4 P08173 2/20 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
SCHEMBL4669170 0.90 HDAC1 (0.48) HPGDSHDAC1DRD4DRD2HTR2A
SCHEMBL1066552 0.85 ABL1 (0.52) HPGDSHDAC1DRD4DRD2HTR2A
SCHEMBL4794017 0.83 HDAC2 (0.44) HPGDSHDAC1DRD4DRD2HTR2A
SCHEMBL4580911 0.81 DRD4 (0.60) DRD4DRD2HTR2ACHRM4
SCHEMBL4580709 0.80 TDP1 (0.51) HPGDSHDAC1
SCHEMBL1067900 0.79 CHRM4 (0.55) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4579575 0.79 DRD4 (0.59) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4578591 0.78 DRD4 (0.42) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4579312 0.77 HDAC8 (0.56) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4579334 0.76 HPGDS (0.40) HPGDSHDAC1

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 HPGDS 1583/4885HDAC1 1/4885DRD4 4581/4885

“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.