SCHEMBL10133413

SCHEMBL10133413

CCc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
NPY5R Q15761 1/20 0.54
LMNA P02545 1/20 0.52
POLB P06746 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 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
SCHEMBL10114295 1.00 KMT2A (0.58) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10133382 0.91 POLB (0.52) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10114297 0.91 POLB (0.52) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10113010 0.89 POLB (0.61) KMT2AMEN1NPSR1GAATSHR
SCHEMBL12864650 0.89 POLB (0.61) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10113036 0.89 POLB (0.61) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10114396 0.86 NPY5R (0.60) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10134426 0.86 NPY5R (0.60) KMT2AMEN1NPSR1GAATSHR
SCHEMBL10133142 0.86 SMN1; SMN2 (0.65) KMT2AMEN1GAANPY5RLMNA
SCHEMBL10114303 0.86 NPY5R (0.57) KMT2AMEN1GAANPY5RLMNA

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-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-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-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 2876/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885NPSR1 7/4885

“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.