SCHEMBL4579312

SCHEMBL4579312

COCC1CCCN1Cc1ccc(C(=O)NN(C(=O)O)c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.56
DRD4 P21917 10/20 0.45
DRD2 P14416 8/20 0.45
HTR2A P28223 8/20 0.45
CHRM4 P08173 2/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
MBTPS1 Q14703 1/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL4579303 0.80 HDAC1 (0.55) HDAC8HDAC6HDAC1HTR1DHTR1B
SCHEMBL4579157 0.79 HDAC1 (0.60) HDAC8HDAC6HDAC1
SCHEMBL4579152 0.79 HDAC1 (0.60) HDAC8HDAC6HDAC1
SCHEMBL4580911 0.78 DRD4 (0.60) DRD4DRD2HTR2ACHRM4
SCHEMBL4579575 0.78 DRD4 (0.59) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4579392 0.77 HPGDS (0.46) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL14155889 0.76 HDAC1 (0.52) HDAC8HDAC6HDAC1HTR1DHTR1B
SCHEMBL4669170 0.76 HDAC1 (0.48) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL4578591 0.74 DRD4 (0.42) HDAC1DRD4DRD2HTR2ACHRM4
SCHEMBL1067900 0.74 CHRM4 (0.55) HDAC8HDAC6HDAC1DRD4DRD2

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 HDAC8 9/4885HDAC6 6/4885HDAC1 1/4885

“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.