SCHEMBL10116463

SCHEMBL10116463

CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 1/20 0.53
GRIA4 P48058 2/20 0.53
GRIA2 P42262 2/20 0.53
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PLK1 P53350 1/20 0.47

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
SCHEMBL10116465 0.89 KDM4E (0.63) KDM4ENPC1LMNAGRIA4GRIA2
SCHEMBL10803341 0.87 KDM4E (0.75) MAPTKDM4ENPC1LMNARAB9A
SCHEMBL10112883 0.87 KDM4E (0.75) MAPTKDM4ENPC1LMNARAB9A
SCHEMBL12309808 0.85 HPGD (0.58) KDM4ELMNAGRIA4SMN1; SMN2ALDH1A1
SCHEMBL10116526 0.84 KDM4E (0.74) MAPTKDM4ENPC1LMNAGRIA4
SCHEMBL10116460 0.84 NPC1 (0.67) MAPTKDM4ENPC1LMNAGRIA4
SCHEMBL10116458 0.84 GRIA4 (0.60) MAPTKDM4ENPC1LMNAGRIA4
SCHEMBL10116711 0.84 NAMPT (0.52) MAPTKDM4ELMNAGRIA4GRIA2
SCHEMBL10116466 0.84 GRIA4 (0.60) MAPTKDM4ENPC1LMNAGRIA4
SCHEMBL10116522 0.83 KDM4E (0.53) MAPTKDM4ENPC1LMNAGRIA4

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 MAPT 3602/4885KDM4E 1668/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885KDM4E 1627/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885KDM4E 1653/4885NPC1 1462/4885

“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.