SCHEMBL10113786

SCHEMBL10113786

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
RORC P51449 2/20 0.45
HDAC6 Q9UBN7 5/20 0.44
POLB P06746 1/20 0.44
PGR P06401 1/20 0.44
MMP3 P08254 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
TP53 P04637 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41

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
SCHEMBL10113890 0.96 ALDH1A1 (0.50) GRIA4GRIA1GRIA2GRIA3ALDH1A1
SCHEMBL10115335 0.86 HDAC6 (0.58) GRIA4ALDH1A1LMNAHDAC6HDAC1
SCHEMBL10113787 0.86 HDAC6 (0.58) GRIA4ALDH1A1LMNAHDAC6HDAC1
SCHEMBL10113517 0.84 ALDH1A1 (0.47) ALDH1A1LMNARORCHDAC6POLB
SCHEMBL13564803 0.82 GRIA2 (0.57) GRIA4GRIA1GRIA2GRIA3PGR
SCHEMBL10115528 0.82 ALDH1A1 (0.50) GRIA4ALDH1A1LMNAHDAC6POLB
SCHEMBL10113721 0.82 ALDH1A1 (0.54) GRIA1ALDH1A1LMNAHDAC6POLB
SCHEMBL10115197 0.82 ALDH1A1 (0.68) GRIA1ALDH1A1LMNAHDAC6POLB
SCHEMBL10115264 0.81 HDAC6 (0.62) GRIA1ALDH1A1LMNAHDAC6HDAC1
SCHEMBL10115275 0.81 ALDH1A1 (0.54) GRIA1ALDH1A1LMNAHDAC6POLB

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 11 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
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 GRIA4 371/4885GRIA1 278/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 335/4885GRIA1 251/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 372/4885GRIA1 277/4885GRIA2 358/4885

“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.