SCHEMBL10113641

SCHEMBL10113641

COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL10115075 0.87 NPC1 (0.56) ALDH1A1TP53SMN1; SMN2LMNAMAPK1
SCHEMBL10113596 0.85 TRPV1 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL10113903 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2ATP53SMN1; SMN2
SCHEMBL10115281 0.82 F2 (0.46) ALDH1A1L3MBTL1KMT2ATP53SMN1; SMN2
SCHEMBL10115018 0.82 MEN1 (0.58) ALDH1A1L3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL10115017 0.82 F2 (0.46) ALDH1A1L3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL13565255 0.81 MEN1 (0.43) ALDH1A1L3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL10113511 0.81 L3MBTL1 (0.68) ALDH1A1L3MBTL1KMT2ALMNAMEN1
SCHEMBL10115123 0.80 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1
SCHEMBL10113610 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2ALMNAGAA

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 4558/4885L3MBTL1 3267/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885L3MBTL1 2541/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885L3MBTL1 3389/4885KMT2A 2953/4885

“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.