SCHEMBL10113629

SCHEMBL10113629

CC(C)(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
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
NTRK1 P04629 4/20 0.46
NTRK2 Q16620 4/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
ROCK1 Q13464 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL10115086 0.92 KEAP1 (0.46) HDAC6HDAC3HDAC1NTRK1NTRK2
SCHEMBL10113898 0.85 HDAC6 (0.47) HDAC6HDAC3HDAC1NTRK1NTRK2
SCHEMBL13565181 0.84 ALDH1A1 (0.42) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL10115105 0.81 ALDH1A1 (0.43) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10113535 0.79 HDAC6 (0.74) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10113639 0.79 MEN1 (0.47) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10115109 0.78 ALDH1A1 (0.40) HDAC6HDAC3HDAC1ALDH1A1SMN1; SMN2
SCHEMBL10113518 0.78 HDAC6 (0.53) HDAC6HDAC3HDAC1NPC1RAB9A
SCHEMBL10115353 0.78 KEAP1 (0.47) HDAC6HDAC3HDAC1NTRK1NTRK2
SCHEMBL13370602 0.78 ALDH1A1 (0.48) HDAC6HDAC3HDAC1NPC1RAB9A

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 1853/4885HDAC3 664/4885HDAC1 1995/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885HDAC3 489/4885HDAC1 1703/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885HDAC3 669/4885HDAC1 2021/4885

“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.