SCHEMBL10115181

SCHEMBL10115181

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 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
SCHEMBL10115143 0.88 MEN1 (0.45) ALDH1A1HDAC6MEN1KMT2AHDAC1
SCHEMBL10113557 0.87 HTT (0.52) ALDH1A1HDAC6MEN1KMT2AHDAC1
SCHEMBL10115450 0.86 NR1H4 (0.46) NR1H4ALDH1A1HDAC6MEN1KMT2A
SCHEMBL10113559 0.85 ALDH1A1 (0.47) ALDH1A1HDAC6MEN1KMT2AHDAC1
SCHEMBL10113580 0.85 MAPK1 (0.49) ALDH1A1HDAC6HDAC1HDAC2HDAC3
SCHEMBL10113560 0.85 THRB (0.53) NR1H4ALDH1A1MEN1KMT2ACNR1
SCHEMBL13565791 0.85 DUT (0.42) NR1H4MTNR1ACNR2
SCHEMBL10115278 0.84 ALDH1A1 (0.45) ALDH1A1HDAC6MEN1KMT2AHDAC1
SCHEMBL10113579 0.84 ALDH1A1 (0.49) ALDH1A1HDAC6MEN1KMT2A
SCHEMBL10115162 0.83 RAB9A (0.40) ALDH1A1HDAC6MEN1KMT2AMTNR1A

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 NR1H4 283/4885ALDH1A1 4558/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NR1H4 311/4885ALDH1A1 4599/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NR1H4 278/4885ALDH1A1 4517/4885HDAC6 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.