SCHEMBL10116101

SCHEMBL10116101

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL10115986 0.89 CTDSP1 (0.48) CTDSP1TDP1KMT2AMEN1LMNA
SCHEMBL10116094 0.88 KMT2A (0.60) CTDSP1TDP1KMT2AMEN1ALDH1A1
SCHEMBL10115753 0.86 CTDSP1 (0.56) CTDSP1TDP1KMT2AMEN1MAPK1
SCHEMBL10115984 0.85 LMNA (0.50) CTDSP1TDP1KMT2AMEN1LMNA
SCHEMBL14424124 0.84 ALDH1A1 (0.54) TDP1ALDH1A1L3MBTL1LMNAPKM
SCHEMBL10116103 0.84 LMNA (0.54) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL10114909 0.84 ALDH1A1 (0.54) TDP1ALDH1A1L3MBTL1LMNAPKM
SCHEMBL10116106 0.84 LMNA (0.49) CTDSP1TDP1KMT2AMEN1LMNA
SCHEMBL10116130 0.83 MEN1 (0.58) KMT2AMEN1ALDH1A1LMNA
SCHEMBL10116119 0.81 CA12 (0.49) CTDSP1TDP1KMT2AMEN1ALDH1A1

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 CTDSP1 2444/4885TDP1 4408/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CTDSP1 2479/4885TDP1 4084/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CTDSP1 2438/4885TDP1 4424/4885KMT2A 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.