SCHEMBL10113745

SCHEMBL10113745

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.61
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
HDAC3 O15379 9/20 0.53
HDAC4 P56524 9/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC7 Q8WUI4 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC10 Q969S8 9/20 0.53
HDAC11 Q96DB2 9/20 0.53
HDAC8 Q9BY41 9/20 0.53
HDAC9 Q9UKV0 9/20 0.53
HDAC5 Q9UQL6 9/20 0.53
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL10115297 0.95 HDAC6 (0.67) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10113787 0.90 HDAC6 (0.58) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10115335 0.90 HDAC6 (0.58) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10115393 0.88 ALDH1A1 (0.61) HDAC6ALDH1A1LMNAHPGDHDAC3
SCHEMBL10113692 0.87 HDAC6 (0.59) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10115287 0.86 ALDH1A1 (0.58) HDAC6ALDH1A1LMNAMAPTHDAC3
SCHEMBL10113691 0.86 ALDH1A1 (0.62) HDAC6ALDH1A1LMNAMAPTHDAC3
SCHEMBL10115197 0.86 ALDH1A1 (0.68) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10113721 0.86 ALDH1A1 (0.54) HDAC6ALDH1A1LMNAHDAC3HDAC4
SCHEMBL10115407 0.85 HDAC6 (0.52) HDAC6ALDH1A1LMNAHDAC3HDAC4

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 12 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
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-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 HDAC6 1853/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885ALDH1A1 4599/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885ALDH1A1 4517/4885LMNA 1857/4885

“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.