SCHEMBL6037917

SCHEMBL6037917

C=CCNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(CC=C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CTSS P25774 3/20 0.37
▸ CTSK P43235 3/20 0.37
▸ CTSL P07711 2/20 0.37
▸ CCKAR P32238 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL6038167 0.87 MMP9 (0.40) IDO1MMP9MMP8
SCHEMBL5283086 0.82 IDO1 (0.59) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5283091 0.82 IDO1 (0.59) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6038153 0.79 CTSS (0.46) CTSSCTSKCTSLAKT1
SCHEMBL18395634 0.77 IDO1 (0.57) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20154776 0.77 IDO1 (0.57) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6038186 0.77 IDO1 (0.55) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6037912 0.74 IDO1 (0.53) IDO1
SCHEMBL18413846 0.74 IDO1 (0.53) IDO1
SCHEMBL5282628 0.73 MMP9 (0.43) IDO1MMP9MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 IDO1 1132/4885HDAC3 2/4885HDAC4 7/4885

“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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