SCHEMBL10113353

SCHEMBL10113353

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
LMNA P02545 4/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 2/20 0.53
NPY5R Q15761 1/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NAMPT P43490 4/20 0.49
TSHR P16473 2/20 0.48
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
CYP17A1 P05093 1/20 0.46
RPS6KA5 O75582 2/20 0.45
PKN2 Q16513 2/20 0.45
LRRK2 Q5S007 2/20 0.45
CHUK O15111 1/20 0.45
PRKD3 O94806 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL13203867 1.00 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10133413 0.85 KMT2A (0.58) GLALMNAKMT2AMEN1POLB
SCHEMBL10114295 0.85 KMT2A (0.58) GLALMNAKMT2AMEN1POLB
SCHEMBL14424263 0.85 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10114127 0.85 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10133382 0.83 POLB (0.52) GLALMNAKMT2AMEN1POLB
SCHEMBL10114297 0.83 POLB (0.52) GLALMNAKMT2AMEN1POLB
SCHEMBL10115644 0.83 GLA (0.48) GLALMNASMN1; SMN2POLBHTT
SCHEMBL10113036 0.81 POLB (0.61) LMNAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL10113010 0.81 POLB (0.61) LMNAKMT2AMEN1SMN1; SMN2POLB

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 8 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 GLA 1699/4885LMNA 2068/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GLA 1621/4885LMNA 1857/4885KMT2A 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.