SCHEMBL10116747

SCHEMBL10116747

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GCK P35557 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ACACB O00763 2/20 0.41
GALR3 O60755 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 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
SCHEMBL10116727 0.94 HRH3 (0.51) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL10116661 0.86 LMNA (0.49) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL10116423 0.85 MEN1 (0.44) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL10116688 0.85 LMNA (0.48) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL10116770 0.82 NPC1 (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13566061 0.80 HRH3 (0.45) HRH3RAB9AKDM4EACACBALOX15
SCHEMBL10116413 0.79 HRH3 (0.46) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL10116742 0.78 LMNA (0.43) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13204445 0.78 ACACB (0.42) HRH3KMT2ARAB9AACACBHTT
SCHEMBL10114960 0.78 ACACB (0.42) HRH3KMT2ARAB9AACACBHTT

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 HRH3 417/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885MEN1 2926/4885KMT2A 2953/4885

“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.