SCHEMBL5998215

SCHEMBL5998215

CC(=O)SCC(=O)NCCCCCC(=O)Nc1ccc2ncsc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 7/20 0.60
▸ HDAC1 Q13547 7/20 0.60
▸ HDAC4 P56524 5/20 0.60
▸ HDAC7 Q8WUI4 5/20 0.60
▸ HDAC2 Q92769 5/20 0.60
▸ HDAC10 Q969S8 5/20 0.60
▸ HDAC11 Q96DB2 5/20 0.60
▸ HDAC8 Q9BY41 5/20 0.60
▸ HDAC6 Q9UBN7 5/20 0.60
▸ HDAC9 Q9UKV0 5/20 0.60
▸ HDAC5 Q9UQL6 5/20 0.60
▸ KEAP1 Q14145 3/20 0.47
▸ NFE2L2 Q16236 3/20 0.47
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ QPCT Q16769 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL6038058 0.85 HDAC3 (0.51) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5999381 0.78 HDAC3 (0.69) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL8272561 0.77 HDAC3 (0.79) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5998809 0.76 HDAC8 (0.77) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5999674 0.76 HDAC8 (0.77) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6000067 0.76 HDAC3 (0.77) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL8272148 0.76 HDAC8 (0.77) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5998508 0.76 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL10113629 0.76 HDAC6 (0.47) HDAC3HDAC1HDAC6KEAP1NFE2L2
SCHEMBL10113898 0.76 HDAC6 (0.47) HDAC3HDAC1HDAC6KEAP1NFE2L2

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
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 — — WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 — — 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-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 HDAC3 7/4885HDAC1 1/4885HDAC4 12/4885

“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.

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