SCHEMBL10116263

SCHEMBL10116263

CC(C)c1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2ccc(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
HTT P42858 3/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 5/20 0.37
ENPP1 P22413 2/20 0.37
ENPP3 O14638 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
GPR27 Q9NS67 1/20 0.35

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
SCHEMBL10116557 0.88 RAB9A (0.43) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL10116261 0.85 MEN1 (0.40) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL10116245 0.81 KMT2A (0.61) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL11935918 0.81 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1CA1
SCHEMBL10115062 0.76 ALDH1A1 (0.39) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL10116546 0.75 KDM4E (0.41) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL12882642 0.74 LMNA (0.36) KMT2ARAB9ANPC1LMNAKDM4E
SCHEMBL10116240 0.73 MEN1 (0.55) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL10116190 0.73 LMNA (0.72) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL13565991 0.71 DRD4 (0.32) RAB9ANPC1GAAKDM4EALDH1A1

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 2912/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885RAB9A 3820/4885

“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.