SCHEMBL10113609

SCHEMBL10113609

COc1ccc(C(=O)NNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
LMNA P02545 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.51
HTT P42858 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL13564785 0.86 HDAC3 (0.62) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL10113604 0.85 L3MBTL1 (0.50) ALDH1A1LMNAL3MBTL1HTTTDP1
SCHEMBL10113881 0.84 ALDH1A1 (0.70) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL10113511 0.82 L3MBTL1 (0.68) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL10113178 0.80 ALDH1A1 (0.56) ALDH1A1HTTNPC1KMT2APOLB
SCHEMBL9703014 0.74 ALDH1A1 (0.79) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL10115226 0.74 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1KDM4EHDAC3
SCHEMBL10115144 0.73 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHDAC3HDAC1
SCHEMBL10113611 0.73 GAA (0.45) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL6770004 0.72 LMNA (0.73) ALDH1A1LMNAL3MBTL1MAPTHTT

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 6 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-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-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 (2 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 4558/4885LMNA 1925/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885L3MBTL1 2541/4885

“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.