SCHEMBL10116124

SCHEMBL10116124

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
MITF O75030 1/20 0.53
HTT P42858 1/20 0.53
NOD2 Q9HC29 1/20 0.53
MAPT P10636 3/20 0.50
HCRTR1 O43613 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CNR1 P21554 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL10116126 0.88 KMT2A (0.54) ALDH1A1LMNAHTTMAPTKMT2A
SCHEMBL10116103 0.87 LMNA (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL10115928 0.87 RXFP1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL10134511 0.87 RXFP1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL13204423 0.86 RHOA (0.54) L3MBTL1ALDH1A1LMNAMITFHTT
SCHEMBL10114967 0.86 RHOA (0.54) L3MBTL1ALDH1A1LMNAMITFHTT
SCHEMBL10115782 0.86 CA12 (0.53) L3MBTL1CA12CA1CA2CA9
SCHEMBL10116119 0.86 CA12 (0.49) L3MBTL1CA12CA1CA2CA9
SCHEMBL10116130 0.82 MEN1 (0.58) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL10115862 0.81 NPC1 (0.58) ALDH1A1LMNAMAPTKMT2AMEN1

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 7 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-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-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 (2 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 L3MBTL1 3267/4885CA12 1882/4885CA1 1908/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885CA12 1954/4885CA1 1931/4885

“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.