SCHEMBL10113765

SCHEMBL10113765

COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
HDAC1 Q13547 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.53
CNR1 P21554 1/20 0.53
LMNA P02545 5/20 0.52
MAPT P10636 2/20 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
SCHEMBL10113193 0.89 L3MBTL1 (0.63) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10113878 0.88 L3MBTL1 (0.50) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10113763 0.87 L3MBTL1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1CNR1
SCHEMBL10113692 0.87 HDAC6 (0.59) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10115205 0.87 TP53 (0.55) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10113721 0.86 ALDH1A1 (0.54) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10115197 0.86 ALDH1A1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10113729 0.85 HDAC6 (0.53) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10115275 0.85 ALDH1A1 (0.54) HDAC8HDAC6ALDH1A1KMT2AMEN1
SCHEMBL10115351 0.85 LMNA (0.53) HDAC1HDAC8HDAC3HDAC4HDAC7

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 L3MBTL1 3267/4885HDAC1 1995/4885HDAC8 706/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885HDAC1 1703/4885HDAC8 634/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885HDAC1 2021/4885HDAC8 743/4885

“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.