SCHEMBL10116340

SCHEMBL10116340

Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc(C)c2sccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.39
BRD4 O60885 2/20 0.37
JAK1 P23458 2/20 0.37
HDAC1 Q13547 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RPA1 P27694 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL10116338 0.92 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10116342 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10116295 0.81 MAPT (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13566007 0.80 BRD4 (0.34) BRD4
SCHEMBL10116337 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10116331 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13973579 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13222451 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10116240 0.73 MEN1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10116297 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTLMNA

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 9 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-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

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 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885MEN1 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.