SCHEMBL4096451

SCHEMBL4096451

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nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.41
NPY4R P50391 10/20 0.40
NPY1R P25929 5/20 0.40
NPY2R P49146 4/20 0.40
NPY5R Q15761 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
VIPR1 P32241 1/20 0.37
VIPR2 P41587 1/20 0.37

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
SCHEMBL2367170 0.94 KEAP1 (0.40) KEAP1NPY4RRXFP1
SCHEMBL2367102 0.94 KEAP1 (0.50) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL3046711 0.93 RXFP1 (0.40) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367128 0.90 NPY4R (0.41) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL4088608 0.89 PSEN1 (0.42) NPY4RRXFP1
SCHEMBL2367091 0.88 RXFP1 (0.41) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367032 0.86 RXFP1 (0.40) KEAP1NPY4RRXFP1VIPR1VIPR2
SCHEMBL2367400 0.86 RXFP1 (0.40) KEAP1NPY4RRXFP1VIPR1VIPR2
SCHEMBL5069124 0.86 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL2368042 0.85 RXFP1 (0.44) KEAP1NPY4RNPY1RNPY2RNPY5R

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST KEAP1 2850/4885NPY4R 1014/4885NPY1R 2090/4885

“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.