SCHEMBL10133540

SCHEMBL10133540

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
RPS6KA5 O75582 2/20 0.43
PKN2 Q16513 2/20 0.43
LRRK2 Q5S007 2/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL13204426 0.90 PTPN1 (0.56) NAMPTNPSR1KMT2AMEN1HTT
SCHEMBL10114938 0.90 PTPN1 (0.56) NAMPTNPSR1KMT2AMEN1HTT
SCHEMBL10113958 0.90 NAMPT (0.66) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL10114691 0.90 ALDH1A1 (0.55) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL13204270 0.90 ALDH1A1 (0.55) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL13716938 0.88 NAMPT (0.49) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL13204281 0.88 L3MBTL1 (0.56) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL10114712 0.88 L3MBTL1 (0.56) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL10113961 0.88 NAMPT (0.49) NAMPTNPSR1KMT2AMEN1MAPT
SCHEMBL10113924 0.88 NAMPT (0.49) NAMPTNPSR1KMT2AMEN1MAPT

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885NPSR1 8/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885NPSR1 7/4885KMT2A 2953/4885

“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.