SCHEMBL10116627

SCHEMBL10116627

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GRIA4 P48058 2/20 0.49
ACLY P53396 1/20 0.49
GRIA2 P42262 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 2/20 0.47
ALOX15 P16050 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NAMPT P43490 1/20 0.46
MLYCD O95822 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL10116568 0.88 HPGD (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10116611 0.87 ACLY (0.45) LMNAKDM4EACLYNPC1RAB9A
SCHEMBL10116458 0.87 GRIA4 (0.60) LMNAKDM4EGRIA4GRIA2NPC1
SCHEMBL10116460 0.87 NPC1 (0.67) LMNAKDM4EGRIA4GRIA2NPC1
SCHEMBL10116526 0.87 KDM4E (0.74) LMNAKDM4EGRIA4GRIA2NPC1
SCHEMBL10116711 0.86 NAMPT (0.52) LMNAKDM4EGRIA4GRIA2RAB9A
SCHEMBL10116471 0.86 RAB9A (0.69) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL14596583 0.86 ACLY (0.46) LMNAKDM4EGRIA4ACLYGRIA2
SCHEMBL10802804 0.85 KDM4E (0.56) LMNAKDM4EGRIA4GRIA2RAB9A
SCHEMBL10116464 0.85 LMNA (0.76) LMNAKDM4EGRIA4GRIA2NPC1

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 LMNA 1925/4885KDM4E 1668/4885GRIA4 371/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885KDM4E 1627/4885GRIA4 335/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885KDM4E 1653/4885GRIA4 372/4885

“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.