SCHEMBL4579458

SCHEMBL4579458

O=C(NN(C(=O)O)c1ccc(-c2cccs2)cc1)c1ccc(CN2CCC(Nc3cccnc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.57
DRD2 P14416 15/20 0.57
HTR2A P28223 12/20 0.57
CHRM4 P08173 2/20 0.46

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
SCHEMBL4580911 0.83 DRD4 (0.60) DRD4DRD2HTR2ACHRM4
SCHEMBL4579442 0.82 DRD4 (0.54) DRD4DRD2HTR2A
SCHEMBL4578949 0.81 HDAC1 (0.58) DRD4DRD2HTR2A
SCHEMBL4578946 0.81 HDAC1 (0.58) DRD4DRD2HTR2A
SCHEMBL4579575 0.81 DRD4 (0.59) DRD4DRD2HTR2ACHRM4
SCHEMBL4790044 0.81 DRD4 (0.53) DRD4DRD2HTR2A
SCHEMBL4789471 0.78 DRD4 (0.48) DRD4DRD2HTR2A
SCHEMBL14155917 0.78 DRD4 (0.49) DRD4DRD2HTR2A
SCHEMBL1067900 0.74 CHRM4 (0.55) DRD4DRD2HTR2ACHRM4
SCHEMBL8711816 0.74 DRD4 (1.00) DRD4DRD2HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.