SCHEMBL2628478

SCHEMBL2628478

COCCOCCCNCCC(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 15/20 0.49
NMUR1 Q9HB89 14/20 0.49
KDM1A O60341 3/20 0.44
MAOB P27338 1/20 0.44
KDM5A P29375 1/20 0.44
KDM1B Q8NB78 1/20 0.44

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
SCHEMBL2628468 0.91 NMUR2 (0.53) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL17226106 0.88 NMUR2 (0.56) NMUR2NMUR1
SCHEMBL2628475 0.87 NMUR2 (0.48) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL2628471 0.85 NMUR2 (0.57) NMUR2NMUR1
SCHEMBL17226129 0.83 NMUR2 (0.62) NMUR2NMUR1
SCHEMBL2628464 0.83 NMUR2 (0.54) NMUR2NMUR1
SCHEMBL2628467 0.82 NMUR2 (0.55) NMUR2NMUR1
SCHEMBL17226107 0.82 NMUR2 (0.50) NMUR2NMUR1
SCHEMBL17226126 0.82 NMUR2 (0.62) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL17226113 0.82 NMUR2 (0.58) NMUR2NMUR1

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-9175037-B2 Neuromedin U derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-03 US disclosed
US-20120094899-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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-20120094899-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR NMUR2 2/4885NMUR1 1/4885KDM1A 1873/4885

“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.