SCHEMBL10116743

SCHEMBL10116743

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccco3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.44
FLT3 P36888 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BLK P51451 1/20 0.43
BTK Q06187 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC2 Q92769 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
SCHEMBL10116691 0.89 TAAR1 (0.55) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL10116428 0.85 LCLAT1 (0.51) LCLAT1MAPTLMNAMAPK1NPSR1
SCHEMBL11936140 0.79 PRMT6 (0.44) MAPTTAAR1
SCHEMBL10116503 0.78 ADORA3 (0.64) MAPTLMNAMAPK1KDM4EHPGD
SCHEMBL10116477 0.78 NPC1 (0.59) MAPTLMNAKDM4EHPGDMEN1
SCHEMBL10116458 0.77 GRIA4 (0.60) MAPTLMNAMAPK1KDM4EPOLB
SCHEMBL10116566 0.77 HPGD (0.60) MAPTKDM4EPOLBHPGDMEN1
SCHEMBL10116726 0.77 RAB9A (0.40) MAPTLMNANPSR1KDM4EPOLB
SCHEMBL21867019 0.76 LCLAT1 (0.74) LCLAT1MAPTLMNAMAPK1NPSR1
SCHEMBL10116577 0.76 GRIA4 (0.62) MAPTLMNANPSR1KDM4EPOLB

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 LCLAT1 1936/4885MAPT 3602/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LCLAT1 2044/4885MAPT 3367/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LCLAT1 1918/4885MAPT 3683/4885LMNA 1857/4885

“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.