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SCHEMBL10116586

SCHEMBL10116586

Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2ncsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.40
▸ RAB9A P51151 13/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKLR P30613 1/20 0.39
▸ MEN1 O00255 8/20 0.38
▸ KMT2A Q03164 8/20 0.38
▸ POLB P06746 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GFER P55789 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL10116287 0.85 NPC1 (0.42) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10116601 0.83 ALDH1A1 (0.38) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL13565669 0.80 PPARA (0.37) PKLRALDH1A1
SCHEMBL10116561 0.79 RAB9A (0.56) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10116575 0.77 HSD11B1 (0.59) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10116604 0.73 RAB9A (0.41) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10115468 0.73 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL10116592 0.72 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10116460 0.71 NPC1 (0.67) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL10116551 0.71 RAB9A (0.50) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 1435/4885RAB9A 3699/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885KDM4E 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.