SCHEMBL10115560

SCHEMBL10115560

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2cnco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.51
PORCN Q9H237 1/20 0.47
IMPDH2 P12268 3/20 0.47
IMPDH1 P20839 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 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
SCHEMBL10115157 0.85 IMPDH2 (0.52) AAK1PORCNIMPDH2IMPDH1KMT2A
SCHEMBL13565354 0.84 NPY5R (0.45) AAK1IMPDH2IMPDH1KMT2AMEN1
SCHEMBL10115435 0.83 TAAR1 (0.53) ALDH1A1KDM4ELMNAPKMHDAC6
SCHEMBL10115507 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAHDAC6
SCHEMBL10113787 0.80 HDAC6 (0.58) NPC1ALDH1A1RAB9ALMNAHDAC6
SCHEMBL10115335 0.80 HDAC6 (0.58) NPC1ALDH1A1RAB9ALMNAHDAC6
SCHEMBL10115441 0.79 HDAC6 (0.44) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL10115197 0.78 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1LMNAHDAC6
SCHEMBL10113721 0.78 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1LMNAHDAC6
SCHEMBL10115351 0.77 LMNA (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA

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 AAK1 3587/4885PORCN 2545/4885IMPDH2 4846/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R AAK1 3539/4885PORCN 2674/4885IMPDH2 4846/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R AAK1 3377/4885PORCN 2542/4885IMPDH2 4847/4885

“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.