SCHEMBL10116693

SCHEMBL10116693

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccno3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KCNJ1 P48048 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
GRIA4 P48058 2/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 2/20 0.42
GRIA2 P42262 1/20 0.41
NAMPT P43490 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL10116387 0.84 POLB (0.49) POLBLMNAKMT2AMEN1KCNJ1
SCHEMBL10116715 0.81 NPC1 (0.65) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL10116691 0.80 TAAR1 (0.55) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL10116577 0.79 GRIA4 (0.62) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL10116634 0.79 MEN1 (0.61) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL12882418 0.78 LMNA (0.45) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL13565370 0.78 PPARA (0.41) KMT2AMEN1KCNJ1MAPT
SCHEMBL10116460 0.77 NPC1 (0.67) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL10116458 0.77 GRIA4 (0.60) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL10116526 0.77 KDM4E (0.74) LMNAKDM4EKMT2AMEN1MAPT

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 POLB 4727/4885LMNA 1925/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885LMNA 2068/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885LMNA 1857/4885KDM4E 1653/4885

“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.