Metalnikowin I

Metalnikowin I

SCHEMBL31189141

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 6/20 0.53
▸ KDM1A O60341 3/20 0.53
▸ EPHA2 P29317 2/20 0.53
▸ MAOB P27338 1/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ KDM1B Q8NB78 1/20 0.51
▸ CXCL8 P10145 5/20 0.51
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50

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
SCHEMBL29710469 0.86 EPHA2 (0.58) NPY2RNPY4RNPY5RNPY1REPHA2
Oncocin SCHEMBL29538886 0.86 KDM1A (0.62) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30176214 0.85 KDM1A (0.60) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL17980306 0.85 OPRM1 (0.54) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29973144 0.85 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31415954 0.85 KDM1A (0.56) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29855986 0.85 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29477190 0.84 TFPI (0.61) KDM1ACXCL8NMUR2NMUR1
SCHEMBL30186432 0.84 MC4R (0.63) NPY2RNPY4RNPY5RNPY1RCXCL8
SCHEMBL29503865 0.84 EPHA2 (0.58) NPY1REPHA2CXCL8NMUR2NMUR1

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-12098217-B2 Fusion peptides as antimicrobial agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-09-24 — — 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-12098217-B2 Fusion peptides as antimicrobial agents ARG1, ARGLU1, PELP1 NPY2R 859/4885NPY4R 823/4885NPY5R 1343/4885

“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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