SCHEMBL10113604

SCHEMBL10113604

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
HDAC1 Q13547 6/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
PTGS2 P35354 1/20 0.41
HTT P42858 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
SCHEMBL10113511 0.88 L3MBTL1 (0.68) L3MBTL1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10113611 0.87 GAA (0.45) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10113609 0.85 ALDH1A1 (0.70) L3MBTL1ALDH1A1LMNAHDAC1HDAC3
SCHEMBL10113878 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL13564787 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHDAC1HDAC8MEN1
SCHEMBL10113178 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTTCNR1
SCHEMBL11935536 0.78 GAA (0.53) ALDH1A1HDAC1HDAC8HDAC3HDAC2
SCHEMBL10114688 0.77 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10114981 0.75 TP53 (0.55) L3MBTL1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10115075 0.75 NPC1 (0.56) ALDH1A1LMNA

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 6 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-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-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 (2 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 3267/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885ALDH1A1 4599/4885LMNA 2068/4885

“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.