SCHEMBL10116653

SCHEMBL10116653

Cc1ccc(-c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
GRIA4 P48058 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAPK14 Q16539 1/20 0.46
PTGER4 P35408 1/20 0.45
PTPN1 P18031 2/20 0.44
FKBP5 Q13451 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
PSMD14 O00487 1/20 0.44
FGB P02675 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL10116577 0.84 GRIA4 (0.62) KMT2AGRIA4KDM4ELMNAMAPT
SCHEMBL10116460 0.83 NPC1 (0.67) KMT2ANPC1RAB9AGRIA4KDM4E
SCHEMBL10116367 0.82 KMT2A (0.52) KMT2ANPC1RAB9AKDM4ELMNA
SCHEMBL10116655 0.81 NPC1 (0.51) KMT2ANPC1RAB9AKDM4ELMNA
SCHEMBL10116458 0.80 GRIA4 (0.60) KMT2ANPC1RAB9AGRIA4KDM4E
SCHEMBL10116526 0.80 KDM4E (0.74) KMT2ANPC1RAB9AGRIA4KDM4E
SCHEMBL13204914 0.79 POLB (0.47) KMT2ANPC1RAB9AGRIA4KDM4E
SCHEMBL10116464 0.79 LMNA (0.76) NPC1RAB9AGRIA4KDM4ELMNA
SCHEMBL10116627 0.79 LMNA (0.56) KMT2ANPC1RAB9AGRIA4KDM4E
SCHEMBL10802804 0.79 KDM4E (0.56) KMT2ARAB9AGRIA4KDM4ELMNA

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 2912/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885NPC1 1462/4885RAB9A 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.