SCHEMBL10115434

SCHEMBL10115434

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.44
EP300 Q09472 1/20 0.44
MEF2D Q14814 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.44
HDAC6 Q9UBN7 5/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
BCHE P06276 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC3 O15379 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
SCHEMBL10115523 0.99 HDAC4 (0.45) HDAC4EP300MEF2DALDH1A1MEN1
SCHEMBL10115453 0.88 ALDH1A1 (0.49) HDAC4ALDH1A1MEN1KMT2AHTT
SCHEMBL10115491 0.87 ALDH1A1 (0.47) HDAC4ALDH1A1MEN1KMT2AHTT
SCHEMBL10115175 0.86 MEN1 (0.46) HDAC4EP300MEF2DALDH1A1MEN1
SCHEMBL10115278 0.85 ALDH1A1 (0.45) HDAC4EP300MEF2DALDH1A1MEN1
SCHEMBL13565964 0.85 HDAC4 (0.41) HDAC4MEF2DHTR1AF2PLG
SCHEMBL13565272 0.84 GRIA1 (0.41) HDAC4MEF2DHTR1AF2PLG
SCHEMBL10115450 0.83 NR1H4 (0.46) HDAC4ALDH1A1MEN1KMT2AHTR1A
SCHEMBL10115513 0.83 LMNA (0.52) ALDH1A1MEN1KMT2AHTR1AHDAC6
SCHEMBL10115522 0.83 HRH3 (0.46) HDAC4EP300MEF2DALDH1A1MEN1

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 HDAC4 1959/4885EP300 1866/4885MEF2D 4272/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC4 1752/4885EP300 1728/4885MEF2D 4389/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC4 1896/4885EP300 1740/4885MEF2D 4281/4885

“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.