SCHEMBL10115587

SCHEMBL10115587

COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.48
NAMPT P43490 1/20 0.48
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
EPHX2 P34913 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 2/20 0.46
MAPT P10636 2/20 0.46
HTR2A P28223 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
SCHEMBL10115576 0.91 L3MBTL1 (0.61) L3MBTL1KMT2ANAMPTSMN1; SMN2MAPT
SCHEMBL10115710 0.88 LMNA (0.46) KMT2AEPHX2SMN1; SMN2STSMAPT
SCHEMBL10115585 0.88 SMN1; SMN2 (0.53) L3MBTL1HTR1AHTR1DHTR1BHTR2C
SCHEMBL10115739 0.86 LMNA (0.56) L3MBTL1KMT2ASMN1; SMN2MAPT
SCHEMBL10115653 0.86 MAPT (0.48) L3MBTL1KMT2AHTR1AHTR1DHTR1B
SCHEMBL10115889 0.86 L3MBTL1 (0.49) L3MBTL1KMT2ANAMPTHTR1AHTR1D
SCHEMBL13204648 0.84 EPHX2 (0.56) EPHX2
SCHEMBL10134494 0.84 LMNA (0.45) KMT2AEPHX2STSMAPT
SCHEMBL10115842 0.84 LMNA (0.47) KMT2ASMN1; SMN2MAPT
SCHEMBL10115840 0.84 EPHX2 (0.50) EPHX2

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 10 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-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 L3MBTL1 3267/4885KMT2A 2912/4885NAMPT 2678/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885KMT2A 2768/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885KMT2A 2953/4885NAMPT 2832/4885

“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.