SCHEMBL10115453

SCHEMBL10115453

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
HRH3 Q9Y5N1 8/20 0.47
RORC P51449 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
CDK9 P50750 2/20 0.42
EPHX2 P34913 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL10115491 0.99 ALDH1A1 (0.47) ALDH1A1HTTHRH3RORCL3MBTL1
SCHEMBL10114706 0.90 HRH3 (0.49) ALDH1A1HRH3L3MBTL1LMNASMN1; SMN2
SCHEMBL10115434 0.88 HDAC4 (0.44) ALDH1A1HTTHRH3MEN1KMT2A
SCHEMBL10115523 0.87 HDAC4 (0.45) ALDH1A1HTTHRH3LMNASMN1; SMN2
SCHEMBL10115478 0.86 HRH3 (0.43) ALDH1A1HTTHRH3L3MBTL1LMNA
SCHEMBL10115146 0.85 ALDH1A1 (0.47) ALDH1A1HTTHRH3RORCL3MBTL1
SCHEMBL10115526 0.85 ALDH1A1 (0.42) ALDH1A1HRH3L3MBTL1LMNAMEN1
SCHEMBL10115257 0.84 MEN1 (0.47) ALDH1A1HTTHRH3RORCL3MBTL1
SCHEMBL10115522 0.84 HRH3 (0.46) ALDH1A1HTTHRH3SMN1; SMN2MEN1
SCHEMBL10115554 0.84 ENPP3 (0.49) ALDH1A1HTTLMNASMN1; SMN2MEN1

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 4558/4885HTT 2081/4885HRH3 417/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HTT 1904/4885HRH3 458/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HTT 2095/4885HRH3 421/4885

“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.