SCHEMBL10115023

SCHEMBL10115023

CC(O)(c1ccccc1)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.54
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 12/20 0.44
HDAC8 Q9BY41 11/20 0.44
HDAC3 O15379 11/20 0.44
HDAC4 P56524 10/20 0.44
HDAC7 Q8WUI4 10/20 0.44
HDAC11 Q96DB2 10/20 0.44
HDAC9 Q9UKV0 10/20 0.44
HDAC5 Q9UQL6 10/20 0.44
HDAC2 Q92769 10/20 0.44
HDAC10 Q969S8 9/20 0.44
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
NCOR1 O75376 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL10114989 0.89 HDAC6 (0.67) HDAC6ALDH1A1LMNACYP3A4KCNH2
SCHEMBL10115056 0.88 ALDH1A1 (0.52) HDAC6ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10113471 0.87 HDAC6 (0.61) HDAC6ALDH1A1LMNACYP3A4KCNH2
SCHEMBL10113512 0.87 HDAC1 (0.58) HDAC6ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10115094 0.87 HDAC1 (0.58) HDAC6ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10115032 0.87 ALDH1A1 (0.53) HDAC6ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10115407 0.86 HDAC6 (0.52) HDAC6ALDH1A1LMNACYP3A4KCNH2
SCHEMBL10115068 0.85 ALDH1A1 (0.61) HDAC6ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10113642 0.84 ALDH1A1 (0.51) HDAC6ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL10113403 0.84 HDAC6 (0.59) HDAC6ALDH1A1LMNAHDAC1HDAC8

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 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.