SCHEMBL6038186

SCHEMBL6038186

Cn1cc(C[C@H](NC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C)C(=O)NCCCCC(=O)O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ CCKBR P32239 2/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL6037912 0.87 IDO1 (0.53) IDO1
SCHEMBL20154776 0.84 IDO1 (0.57) IDO1CCKBRHDAC3HDAC4HDAC1
SCHEMBL18395634 0.84 IDO1 (0.57) IDO1CCKBRHDAC3HDAC4HDAC1
SCHEMBL6038019 0.82 IDO1 (0.52) IDO1
SCHEMBL6038017 0.82 IDO1 (0.52) IDO1
SCHEMBL5281193 0.82 IDO1 (0.65) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5281188 0.82 IDO1 (0.65) IDO1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18395491 0.80 KDM4E (0.47) CCKBRMMP9MMP8
SCHEMBL18395489 0.80 KDM4E (0.47) CCKBRMMP9MMP8
SCHEMBL30024542 0.80 KDM4E (0.47) CCKBRMMP9MMP8

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
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 IDO1 1132/4885CCKBR 3236/4885NPBWR1 1321/4885

“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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