SCHEMBL10116397

SCHEMBL10116397

CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 4/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TRPV1 Q8NER1 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10116240 0.92 MEN1 (0.55) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10116238 0.87 KDM4E (0.65) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10116194 0.87 MEN1 (0.65) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10116183 0.87 NPC1 (0.67) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10116182 0.87 KMT2A (0.57) KMT2ALMNAMEN1KDM4EMAPT
SCHEMBL10116235 0.85 MEN1 (0.52) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10114513 0.85 MEN1 (0.61) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL10116191 0.85 NPC1 (0.66) KMT2ALMNAMEN1KDM4ECA1
SCHEMBL10114489 0.84 TRPV1 (0.68) KMT2AMEN1CA1CA2NPSR1
SCHEMBL10116709 0.83 LMNA (0.53) KMT2ALMNAMEN1KDM4ECA1

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 7 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-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 KMT2A 2912/4885LMNA 1925/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885LMNA 2068/4885MEN1 2932/4885

“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.