SCHEMBL10115908

SCHEMBL10115908

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 1/20 0.54
▸ KCNK4 Q9NYG8 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ FAAH O00519 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 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
SCHEMBL10115600 0.88 TP53 (0.54) KCNK2KCNK4KDM4ENPC1ALDH1A1
SCHEMBL13204323 0.87 KCNK2 (0.66) KCNK2KCNK4KDM4ENPC1ALDH1A1
SCHEMBL10114761 0.87 KCNK2 (0.66) KCNK2KCNK4KDM4ENPC1ALDH1A1
SCHEMBL10115847 0.81 LMNA (0.59) KDM4ENPC1RAB9ASMN1; SMN2FAAH
SCHEMBL17090416 0.80 ALDH1A1 (0.51) KCNK2KCNK4KDM4ENPC1ALDH1A1
SCHEMBL10116082 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10116010 0.76 ALDH1A1 (0.48) KDM4EALDH1A1FAAHNPSR1KMT2A
SCHEMBL10116506 0.75 MAPT (0.66) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10115991 0.75 CHRM5 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13222448 0.75 GAA (0.50) NPC1ALDH1A1RAB9ANPSR1MEN1

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 KCNK2 1326/4885KCNK4 2057/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK2 1369/4885KCNK4 1998/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KCNK2 1256/4885KCNK4 1872/4885KDM4E 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.

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