SCHEMBL5282088

SCHEMBL5282088

COC(=O)CCSCC(=O)Nc1ccc(CN2c3ccccc3NC(=O)C2Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC6 Q9UBN7 9/20 0.56
GFER P55789 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
BDKRB1 P46663 1/20 0.38

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
SCHEMBL5282091 1.00 HDAC2 (0.56) HDAC2HDAC8HDAC6GFERGAA
SCHEMBL5283302 0.91 HDAC2 (0.59) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL5283316 0.91 HDAC2 (0.59) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL6037999 0.83 HDAC2 (0.62) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL6037998 0.83 HDAC2 (0.62) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL5278032 0.83 HDAC2 (0.62) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL5278026 0.83 HDAC2 (0.62) HDAC2HDAC8HDAC6GFERALDH1A1
SCHEMBL5284317 0.78 HDAC2 (0.65) HDAC2HDAC8HDAC6GFERGAA
SCHEMBL5284313 0.78 HDAC2 (0.65) HDAC2HDAC8HDAC6GFERGAA
SCHEMBL6038016 0.76 HDAC2 (0.45) HDAC2HDAC8HDAC6MAPT

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC2 5/4885HDAC8 11/4885HDAC6 17/4885

“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.