SCHEMBL10116559

SCHEMBL10116559

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
RAB9A P51151 1/20 0.54
ACE2 Q9BYF1 1/20 0.51
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
ENPP2 Q13822 1/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GFER P55789 1/20 0.48
PSMD14 O00487 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL10116541 0.92 POLB (0.59) ALDH1A1KDM4EMAPTRXFP1RAB9A
SCHEMBL10116537 0.90 LMNA (0.52) ALDH1A1KDM4EMAPTRXFP1RAB9A
SCHEMBL10116769 0.88 RAB9A (0.48) ALDH1A1KDM4EMAPTRXFP1RAB9A
SCHEMBL10116529 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTRAB9AACE2
SCHEMBL10116275 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTRXFP1RAB9A
SCHEMBL10116556 0.84 ACE2 (0.46) ALDH1A1KDM4EMAPTRAB9AACE2
SCHEMBL11527428 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTRXFP1RAB9A
SCHEMBL11936080 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTRXFP1GAA
SCHEMBL10116458 0.79 GRIA4 (0.60) ALDH1A1KDM4EMAPTRAB9ACTDSP1
SCHEMBL10116555 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTRAB9AGAA

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 1668/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885MAPT 3683/4885

“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.