SCHEMBL4579564

SCHEMBL4579564

CN(C)C1CCN(Cc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)O)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
DRD4 P21917 15/20 0.55
HTR2A P28223 11/20 0.55
DRD2 P14416 12/20 0.54
MCHR1 Q99705 1/20 0.53
CHRM4 P08173 2/20 0.50
HDAC3 O15379 1/20 0.49
KCNH2 Q12809 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
SCHEMBL14155923 0.90 HDAC1 (0.58) HDAC1DRD4HTR2ADRD2MCHR1
SCHEMBL4580616 0.89 HDAC1 (0.63) HDAC1HDAC3KCNH2
SCHEMBL4578742 0.89 HDAC1 (0.63) HDAC1HDAC3KCNH2
SCHEMBL4578738 0.89 HDAC1 (0.63) HDAC1HDAC3KCNH2
SCHEMBL4788938 0.89 HDAC1 (0.52) HDAC1DRD4HTR2ADRD2MCHR1
SCHEMBL4580902 0.88 DRD4 (0.57) HDAC1DRD4HTR2ADRD2CHRM4
SCHEMBL4578382 0.86 MCHR1 (0.73) HDAC1MCHR1HDAC3KCNH2
SCHEMBL4579442 0.80 DRD4 (0.54) HDAC1DRD4HTR2ADRD2
SCHEMBL4579575 0.80 DRD4 (0.59) HDAC1DRD4HTR2ADRD2MCHR1
SCHEMBL4578581 0.80 HDAC1 (0.47) HDAC1HDAC3KCNH2

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 HDAC1 1/4885DRD4 4581/4885HTR2A 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.