SCHEMBL10113446

SCHEMBL10113446

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 3/20 0.53
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
IDO1 P14902 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CA1 P00915 1/20 0.45

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
SCHEMBL10113440 0.88 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6HDAC8MAPT
SCHEMBL10115026 0.88 ALDH1A1 (0.68) ALDH1A1LMNAHDAC6HDAC8MEN1
SCHEMBL10115072 0.88 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6HDAC8MEN1
SCHEMBL10115032 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC8MAPT
SCHEMBL10114991 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHDAC6HDAC8MEN1
SCHEMBL14418536 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC8MAPT
SCHEMBL10113406 0.87 HDAC3 (0.56) ALDH1A1LMNAHDAC6HDAC8HPGD
SCHEMBL10113393 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC8MEN1
SCHEMBL10113451 0.87 HDAC6 (0.53) ALDH1A1LMNAHDAC6HDAC8MEN1
SCHEMBL10114989 0.86 HDAC6 (0.67) ALDH1A1LMNAHDAC6HDAC8HDAC3

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 8 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 ALDH1A1 4558/4885LMNA 1925/4885HDAC6 1853/4885
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.