SCHEMBL10115467

SCHEMBL10115467

Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(C)c2scnc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
PKM P14618 1/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
NPY5R Q15761 3/20 0.36
GRIA1 P42261 3/20 0.35
FABP4 P15090 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33

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
SCHEMBL10115128 0.86 ALDH1A1 (0.37) ALDH1A1PKMMAPK10NPSR1HDAC6
SCHEMBL13565858 0.84 NPY5R (0.45) NPY5RGRIA1
SCHEMBL10115468 0.83 ALDH1A1 (0.40) ALDH1A1PKMMAPK10NPSR1HDAC6
SCHEMBL10115374 0.79 ALDH1A1 (0.41) ALDH1A1HDAC6GRIA1FABP4LMNA
SCHEMBL10115469 0.74 ALDH1A1 (0.41) ALDH1A1PKMMAPK10NPSR1HDAC6
SCHEMBL14418561 0.73 ALDH1A1 (0.38) ALDH1A1HDAC6GRIA1FABP4LMNA
SCHEMBL10116601 0.73 ALDH1A1 (0.38) ALDH1A1NPSR1LMNA
SCHEMBL10115353 0.72 KEAP1 (0.47) ALDH1A1NPSR1HDAC6LMNAHDAC3
SCHEMBL10113898 0.71 HDAC6 (0.47) ALDH1A1HDAC6LMNAHDAC3HDAC1
SCHEMBL14418583 0.71 ALDH1A1 (0.40) ALDH1A1PKMHDAC6GRIA1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALDH1A1 4558/4885PKM 4420/4885MAPK10 958/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885PKM 4271/4885MAPK10 919/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885PKM 4408/4885MAPK10 898/4885

“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.