SCHEMBL10116331

SCHEMBL10116331

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 2/20 0.39
MAPK10 P53779 1/20 0.39
MAPK1 P28482 2/20 0.39
BRD4 O60885 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC1 Q13547 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL10116315 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116588 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13222451 0.84 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116311 0.84 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116357 0.80 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116338 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116340 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13973579 0.79 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13566081 0.78 MAPT (0.33) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10116337 0.78 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA

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 4558/4885MAPT 3602/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885MAPT 3367/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885MAPT 3683/4885MEN1 2926/4885

“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.