SCHEMBL4580911

SCHEMBL4580911

O=C(NN(C(=O)O)c1ccc(-c2cccs2)cc1)c1ccc(CN2CCC(O)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.60
DRD2 P14416 15/20 0.60
HTR2A P28223 12/20 0.60
CHRM4 P08173 2/20 0.54

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
SCHEMBL4579575 0.89 DRD4 (0.59) DRD4DRD2HTR2ACHRM4
SCHEMBL4579458 0.83 DRD4 (0.57) DRD4DRD2HTR2ACHRM4
SCHEMBL1067900 0.81 CHRM4 (0.55) DRD4DRD2HTR2ACHRM4
SCHEMBL4579392 0.81 HPGDS (0.46) DRD4DRD2HTR2ACHRM4
SCHEMBL4669170 0.80 HDAC1 (0.48) DRD4DRD2HTR2ACHRM4
SCHEMBL4579312 0.78 HDAC8 (0.56) DRD4DRD2HTR2ACHRM4
SCHEMBL4580902 0.78 DRD4 (0.57) DRD4DRD2HTR2ACHRM4
SCHEMBL4577495 0.77 HDAC1 (0.65)
SCHEMBL4577497 0.77 HDAC1 (0.65)
SCHEMBL4579411 0.77 HDAC1 (0.65)

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 3 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 DRD4 4581/4885DRD2 4756/4885HTR2A 4048/4885

“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.