SCHEMBL5281343

SCHEMBL5281343

Nc1ccc(SCC(=O)Nc2ccc(CN3c4ccccc4NC(=O)[C@H]3Cc3cccs3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.57
HDAC8 Q9BY41 9/20 0.57
HDAC6 Q9UBN7 9/20 0.57
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.35
PKM P14618 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL5284313 0.82 HDAC2 (0.65) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5284317 0.82 HDAC2 (0.65) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5278026 0.80 HDAC2 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL6037999 0.80 HDAC2 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5278032 0.80 HDAC2 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL6037998 0.80 HDAC2 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5579685 0.74 HDAC2 (0.80) HDAC2HDAC8HDAC6
SCHEMBL5579684 0.74 HDAC2 (0.80) HDAC2HDAC8HDAC6
SCHEMBL5078965 0.74 HDAC2 (0.76) HDAC2HDAC8HDAC6
SCHEMBL5078964 0.74 HDAC2 (0.76) HDAC2HDAC8HDAC6

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 claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed

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.