SCHEMBL10116237

SCHEMBL10116237

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
FFAR1 O14842 1/20 0.61
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
PRMT1 Q99873 1/20 0.54
PTPN1 P18031 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL10116182 0.93 KMT2A (0.57) KMT2AMEN1NPC1RAB9ACACNA1B
SCHEMBL10116240 0.90 MEN1 (0.55) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL10114523 0.89 MEN1 (0.60) KMT2AMEN1CACNA1BAPBA1HPGD
SCHEMBL10116241 0.86 KMT2A (0.74) KMT2AMEN1CACNA1BAPBA1HPGD
SCHEMBL10116236 0.86 KMT2A (0.51) KMT2AMEN1NPC1RAB9ACACNA1B
SCHEMBL10116183 0.84 NPC1 (0.67) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL10116238 0.84 KDM4E (0.65) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL10116194 0.84 MEN1 (0.65) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL10116191 0.83 NPC1 (0.66) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL10116235 0.83 MEN1 (0.52) KMT2AMEN1NPC1RAB9ALMNA

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 KMT2A 2912/4885MEN1 2876/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885NPC1 1462/4885

“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.