SCHEMBL10116628

SCHEMBL10116628

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 3/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.50
XBP1 P17861 1/20 0.46
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PPARA Q07869 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
SCHEMBL10116755 0.86 MAPT (0.46) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116659 0.86 MAPT (0.50) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116351 0.84 KMT2A (0.51) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116762 0.82 MAPT (0.46) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116604 0.82 RAB9A (0.41) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116572 0.82 TRPV1 (0.62) MAPTNPC1NPSR1RAB9AXBP1
SCHEMBL10116655 0.81 NPC1 (0.51) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116585 0.81 ALDH1A1 (0.53) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL10116605 0.81 MAPT (0.60) KMT2AMEN1MAPTNPC1HTT
SCHEMBL10116646 0.80 KDM4E (0.45) KMT2AMEN1NPC1RAB9ALMNA

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 KMT2A 2912/4885MEN1 2876/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885MAPT 3683/4885

“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.