SCHEMBL10116423

SCHEMBL10116423

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CCOC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GCK P35557 3/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
F2 P00734 3/20 0.40
F10 P00742 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
PRSS3 P35030 3/20 0.40

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
SCHEMBL10116413 0.94 HRH3 (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10114615 0.86 LMNA (0.53) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10116747 0.85 HRH3 (0.45) MEN1KMT2ANPC1RAB9AGCK
SCHEMBL10116381 0.85 MAPT (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10116453 0.82 NPC1 (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13105803 0.80 HRH3 (0.40) RAB9AHRH3F2F10PRSS1
SCHEMBL10116727 0.79 HRH3 (0.51) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10116440 0.78 SMN1; SMN2 (0.41) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10116240 0.78 MEN1 (0.55) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10114590 0.78 NPY5R (0.46) KMT2ARAB9ALMNAMAPTKDM4E

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 MEN1 2876/4885KMT2A 2912/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885NPC1 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.