SCHEMBL10116465

SCHEMBL10116465

CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ENPP1 P22413 1/20 0.55
TRPV1 Q8NER1 3/20 0.52
NPC1 O15118 1/20 0.52
GALR3 O60755 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.51
PLK1 P53350 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
BDKRB2 P30411 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46
NR1H4 Q96RI1 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
SCHEMBL10112883 0.92 KDM4E (0.75) KDM4ETRPV1NPC1GALR3RAB9A
SCHEMBL10803341 0.92 KDM4E (0.75) KDM4ETRPV1NPC1GALR3RAB9A
SCHEMBL10116463 0.89 MAPT (0.56) KDM4ETRPV1NPC1RAB9ALMNA
SCHEMBL10116526 0.82 KDM4E (0.74) KDM4ENPC1RAB9ALMNAGRIA2
SCHEMBL10116460 0.82 NPC1 (0.67) KDM4ENPC1RAB9ALMNAGRIA2
SCHEMBL10116458 0.82 GRIA4 (0.60) KDM4ENPC1RAB9ALMNAGRIA2
SCHEMBL10116466 0.82 GRIA4 (0.60) KDM4ENPC1RAB9ALMNAGRIA2
SCHEMBL10803085 0.82 KDM4E (0.63) KDM4EENPP1TRPV1NPC1GALR3
SCHEMBL10116711 0.82 NAMPT (0.52) KDM4ERAB9ALMNAGRIA2GRIA4
SCHEMBL10116193 0.82 KDM4E (0.63) KDM4EENPP1TRPV1NPC1GALR3

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 KDM4E 1668/4885ENPP1 3255/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885ENPP1 3059/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885ENPP1 3327/4885TRPV1 795/4885

“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.