Sugi Predict

Sugi Predict / Compounds / SCHEMBL10133403

SCHEMBL10133403

SCHEMBL10133403

Cc1ccc2nc(-c3ccc(NC(=O)C4CCC(NS(=O)(=O)C(C)(C)C)CC4)cc3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 1/20 0.66
▸ KCNK4 Q9NYG8 1/20 0.66
▸ FAAH O00519 2/20 0.60
▸ KDM4E B2RXH2 4/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ EPHX2 P34913 1/20 0.55
▸ MAPT P10636 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL10114367 1.00 KCNK2 (0.66) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL10114761 0.87 KCNK2 (0.66) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL13204323 0.87 KCNK2 (0.66) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL10115600 0.87 TP53 (0.54) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL11935255 0.84 ALDH1A1 (0.51) KCNK2KCNK4KDM4ENPC1RAB9A
SCHEMBL13438938 0.84 ALDH1A1 (0.51) KCNK2KCNK4KDM4ENPC1RAB9A
SCHEMBL27451203 0.83 KCNK2 (0.77) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL13973379 0.83 KCNK2 (0.76) KCNK2KCNK4FAAHKDM4ENPC1
SCHEMBL10114303 0.81 NPY5R (0.57) FAAHKDM4EALDH1A1EPHX2MAPT
SCHEMBL10133451 0.81 NPY5R (0.57) FAAHKDM4EALDH1A1EPHX2MAPT

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-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-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-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 KCNK2 1326/4885KCNK4 2057/4885FAAH 974/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK2 1369/4885KCNK4 1998/4885FAAH 994/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK2 1256/4885KCNK4 1872/4885FAAH 974/4885

“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.