SCHEMBL10116103

SCHEMBL10116103

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KIF18A Q8NI77 2/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
GRIA2 P42262 1/20 0.44
NOD2 Q9HC29 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL10116119 0.91 CA12 (0.49) LMNAALDH1A1KMT2ACA12CA1
SCHEMBL10116105 0.88 KMT2A (0.56) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL10116124 0.87 L3MBTL1 (0.53) LMNAALDH1A1KMT2ACA12CA1
SCHEMBL10115755 0.86 LMNA (0.54) LMNAALDH1A1KMT2ACA12CA1
SCHEMBL10116130 0.85 MEN1 (0.58) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL10116101 0.84 CTDSP1 (0.56) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL14424382 0.84 LMNA (0.56) LMNAALDH1A1KMT2AKIF18AMAPT
SCHEMBL10114923 0.84 LMNA (0.56) LMNAALDH1A1KMT2AKIF18AMAPT
SCHEMBL10116111 0.82 NPC1 (0.50) LMNAKMT2AMEN1HTTNPC1
SCHEMBL10115862 0.82 NPC1 (0.58) LMNAALDH1A1KMT2AMEN1MAPT

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 LMNA 1925/4885ALDH1A1 4558/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885ALDH1A1 4599/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885ALDH1A1 4517/4885KMT2A 2953/4885

“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.