SCHEMBL10116529

SCHEMBL10116529

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 6/20 0.54
POLB P06746 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.47
ACE2 Q9BYF1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13204914 0.91 POLB (0.47) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL10116556 0.89 ACE2 (0.46) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL10116559 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL10116541 0.85 POLB (0.59) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL10116537 0.84 LMNA (0.52) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL10116244 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL10116555 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL10116769 0.82 RAB9A (0.48) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL10116460 0.78 NPC1 (0.67) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL13566022 0.77 APP (0.45) ALDH1A1KDM4EHPGDPOLBHSD17B10

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 9 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-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.