SCHEMBL10115650

SCHEMBL10115650

COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.44
NAMPT P43490 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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 0.88 L3MBTL1 (0.61) L3MBTL1NAMPTMAPTKMT2ASMN1; SMN2
SCHEMBL10115996 0.84 POLB (0.57) POLBL3MBTL1NAMPTMAPTKMT2A
SCHEMBL10115653 0.83 MAPT (0.48) L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL10115587 0.83 L3MBTL1 (0.49) L3MBTL1NAMPTMAPTKMT2ASMN1; SMN2
SCHEMBL10115585 0.83 SMN1; SMN2 (0.53) L3MBTL1MAPTSMN1; SMN2
SCHEMBL10115543 0.82 MAPT (0.61) MAPTKMT2ASMN1; SMN2LMNANPSR1
SCHEMBL10113376 0.82 NPY5R (0.49) POLBL3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL13203880 0.82 NPY5R (0.49) POLBL3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL10115707 0.81 USP2 (0.47) KMT2ALMNANPSR1
SCHEMBL10115580 0.79 MAPT (0.68) MAPTKMT2ALMNA

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 POLB 4727/4885L3MBTL1 3267/4885NAMPT 2678/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885L3MBTL1 2541/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885L3MBTL1 3389/4885NAMPT 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.