SCHEMBL10116282

SCHEMBL10116282

CC1Cc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL10116363 0.89 RAB9A (0.45) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116354 0.85 HPGD (0.43) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116567 0.83 HPGD (0.48) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10114487 0.83 RAB9A (0.66) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116332 0.81 ALDH1A1 (0.39) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116372 0.81 HPGD (0.45) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116240 0.80 MEN1 (0.55) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10116326 0.80 HPGD (0.46) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL10116238 0.78 KDM4E (0.65) HPGDRAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL13565929 0.77 OPRD1 (0.37) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E

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 HPGD 3487/4885RAB9A 3699/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885RAB9A 3651/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3476/4885RAB9A 3820/4885NPC1 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.