SCHEMBL30008261

SCHEMBL30008261

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 10/20 0.44
▸ NMT2 O60551 9/20 0.44
▸ KDM1A O60341 3/20 0.42
▸ GHSR Q92847 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM1B Q8NB78 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.38

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
SCHEMBL31385440 0.96 GHSR (0.41) NMT1NMT2KDM1AGHSRMEN1
SCHEMBL9120793 0.96 GHSR (0.41) NMT1NMT2KDM1AGHSRMEN1
SCHEMBL29588633 0.96 GHSR (0.41) NMT1NMT2KDM1AGHSRMEN1
SCHEMBL30613577 0.96 GHSR (0.41) NMT1NMT2KDM1AGHSRMEN1
SCHEMBL30973948 0.94 MEN1 (0.42) NMT1NMT2KDM1AGHSRMEN1
SCHEMBL30444128 0.94 NMT1 (0.46) NMT1NMT2KDM1AMAOBKDM5A
SCHEMBL29517196 0.93 MEN1 (0.40) NMT1NMT2KDM1AMEN1KMT2A
SCHEMBL29517268 0.92 NMT1 (0.45) NMT1NMT2KDM1AGHSRMAOB
SCHEMBL29679965 0.92 KDM1A (0.43) NMT1NMT2KDM1AGHSRMAOB
SCHEMBL29496543 0.92 MEN1 (0.44) KDM1AGHSRMEN1KMT2A

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-20230295259-A1 Conjugated Hepcidin Mimetics PROTAGONIST THERAPEUTICS, INC. 2023-09-21 — — US disclosed
US-11472842-B2 Analogues of hepcidin mimetics with improved in vivo half lives PROTAGONIST THERAPEUTICS, INC. (US) 2022-10-18 — — 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 (2 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-11472842-B2 Analogues of hepcidin mimetics with improved in vivo half lives HAMP, VIP, HDGF NMT1 508/4885NMT2 546/4885KDM1A 4309/4885
US-20230295259-A1 Conjugated Hepcidin Mimetics HAMP, VIP, HDGF NMT1 439/4885NMT2 533/4885KDM1A 4143/4885

“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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