SCHEMBL10115404

SCHEMBL10115404

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
KDM4E B2RXH2 5/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 4/20 0.62
MAPK1 P28482 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TERT O14746 7/20 0.43
GAA P10253 1/20 0.43
STAT3 P40763 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRC P08575 2/20 0.42
PTPN13 Q12923 1/20 0.42

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
SCHEMBL10114812 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL13564955 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10115397 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10114643 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10115330 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10115302 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10114626 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10113785 0.80 PTPRC (0.61) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10114830 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL13973246 0.78 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AMAPT

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 ALDH1A1 4558/4885KDM4E 1668/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885HPGD 3476/4885

“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.