SCHEMBL10115084

SCHEMBL10115084

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ncncn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 2/20 0.39
HDAC6 Q9UBN7 8/20 0.39
PKM P14618 1/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC4 P56524 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL10115114 0.88 ALDH1A1 (0.46) ALDH1A1LMNAHDAC6PKMMAPK10
SCHEMBL10115442 0.82 GRIA1 (0.46) ALDH1A1LMNAHDAC6PKMMAPK10
SCHEMBL13565288 0.79 EPHX1 (0.36) ALDH1A1LMNAPKM
SCHEMBL10114989 0.76 HDAC6 (0.67) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10113496 0.75 ALDH1A1 (0.52) ALDH1A1LMNAHDAC6
SCHEMBL10113440 0.75 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10115072 0.75 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10115026 0.75 ALDH1A1 (0.68) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10113393 0.74 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC3HDAC1
SCHEMBL10113446 0.74 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC3HDAC1

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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885HDAC6 1849/4885

“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.