SCHEMBL10115600

SCHEMBL10115600

Cc1ccc2nc(-c3ccc(NC(=O)N4CCC(NS(=O)(=O)C(C)(C)C)CC4)cc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.54
▸ KCNK2 O95069 1/20 0.54
▸ KCNK4 Q9NYG8 1/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ FAAH O00519 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL10115908 0.88 KCNK2 (0.54) TP53KCNK2KCNK4NPC1ALDH1A1
SCHEMBL10114367 0.87 KCNK2 (0.66) TP53KCNK2KCNK4NPC1ALDH1A1
SCHEMBL10133403 0.87 KCNK2 (0.66) TP53KCNK2KCNK4NPC1ALDH1A1
SCHEMBL10115527 0.81 LMNA (0.66) NPC1RAB9AKDM4EFAAHMAPT
SCHEMBL13438938 0.80 ALDH1A1 (0.51) TP53KCNK2KCNK4NPC1ALDH1A1
SCHEMBL11935255 0.80 ALDH1A1 (0.51) TP53KCNK2KCNK4NPC1ALDH1A1
SCHEMBL10115738 0.77 LMNA (0.49) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10115657 0.76 LMNA (0.50) ALDH1A1KDM4EFAAHKMT2ALMNA
SCHEMBL10114638 0.75 KEAP1 (0.47) NPC1ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL10116227 0.75 MAPT (0.66) TP53NPC1ALDH1A1RAB9AKDM4E

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 TP53 4449/4885KCNK2 1326/4885KCNK4 2057/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885KCNK2 1369/4885KCNK4 1998/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885KCNK2 1256/4885KCNK4 1872/4885

“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.

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