SCHEMBL10116408

SCHEMBL10116408

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
KDM4E B2RXH2 3/20 0.65
PKM P14618 2/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
IMPDH2 P12268 4/20 0.56
IMPDH1 P20839 1/20 0.56
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
AAK1 Q2M2I8 1/20 0.47
KCNJ1 P48048 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46

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
SCHEMBL10116715 0.84 NPC1 (0.65) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL10114654 0.81 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL10116240 0.81 MEN1 (0.55) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL10116387 0.81 POLB (0.49) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL13565652 0.78 KMT2A (0.50) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL10114523 0.78 MEN1 (0.60) KDM4EHTTKMT2AMEN1POLB
SCHEMBL10116298 0.78 NPC1 (0.61) NPC1KDM4ERAB9AALDH1A1LMNA
SCHEMBL10114612 0.77 TRPV1 (0.46)
SCHEMBL10116183 0.76 NPC1 (0.67) NPC1KDM4ERAB9AALDH1A1LMNA
SCHEMBL10116238 0.76 KDM4E (0.65) NPC1KDM4ERAB9AALDH1A1LMNA

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 NPC1 1435/4885KDM4E 1668/4885PKM 4420/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885KDM4E 1627/4885PKM 4271/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885KDM4E 1653/4885PKM 4408/4885

“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.