SCHEMBL10113898

SCHEMBL10113898

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
NTRK1 P04629 5/20 0.46
NTRK2 Q16620 5/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RIPK1 Q13546 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10115353 0.93 KEAP1 (0.47) HDAC6NTRK1NTRK2HDAC3HDAC1
SCHEMBL10113629 0.85 HDAC6 (0.47) HDAC6NTRK1NTRK2HDAC3HDAC1
SCHEMBL13462789 0.84 NPY5R (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10115368 0.81 ALDH1A1 (0.43) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10113788 0.79 HDAC6 (0.74) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10115086 0.79 KEAP1 (0.46) HDAC6NTRK1NTRK2HDAC3HDAC1
SCHEMBL10113904 0.79 MEN1 (0.47) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL10115468 0.78 ALDH1A1 (0.40) HDAC6HDAC3HDAC1ALDH1A1LMNA
SCHEMBL12882573 0.78 HDAC6 (0.53) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL13972724 0.78 ALDH1A1 (0.48) HDAC6HDAC3HDAC1MEN1KMT2A

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 HDAC6 1853/4885NTRK1 141/4885NTRK2 178/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885NTRK1 130/4885NTRK2 157/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885NTRK1 133/4885NTRK2 171/4885

“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.