SCHEMBL10116592

SCHEMBL10116592

Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
MAPK10 P53779 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10116588 0.85 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10116315 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10116581 0.83 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL10116637 0.83 LMNA (0.41) ALDH1A1NPC1MAPTKDM4ELMNA
SCHEMBL10116591 0.83 LMNA (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10114531 0.80 RAB9A (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10116599 0.80 CASP3 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL13565080 0.79 RXRA (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL10116728 0.76 MAPT (0.46) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL10116604 0.75 RAB9A (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 4558/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885NPC1 1462/4885RAB9A 3820/4885

“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.