SCHEMBL6038360

SCHEMBL6038360

C=CCNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CSc1ccc(N)cc1)N(CC=C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPBWR1 P48145 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5283297 0.88 IDO1 (0.38) IDO1MMP9MMP8MEN1KMT2A
SCHEMBL6038167 0.85 MMP9 (0.40) IDO1MMP9MMP8MEN1KMT2A
SCHEMBL6037917 0.83 IDO1 (0.50) IDO1MMP9MMP8
SCHEMBL5282628 0.71 MMP9 (0.43) IDO1MMP9MMP8MEN1KMT2A
SCHEMBL8258456 0.67 IDO1 (0.42) IDO1MMP9MMP8KDM4EHPGD
SCHEMBL5283086 0.66 IDO1 (0.59) IDO1MMP9MMP8MAPTKDM4E
SCHEMBL5283091 0.66 IDO1 (0.59) IDO1MMP9MMP8MAPTKDM4E
SCHEMBL5283128 0.66 ALDH1A1 (0.46) MMP9MMP8MEN1KMT2AMAPT
SCHEMBL6037979 0.66 ALDH1A1 (0.46) MMP9MMP8MEN1KMT2AMAPT
SCHEMBL5176695 0.62 KDM4E (0.48) IDO1MMP9MMP8MEN1KMT2A

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 claimed
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 1132/4885MMP9 934/4885MMP8 3597/4885

“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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