SCHEMBL10113883

SCHEMBL10113883

CCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10115378 0.86 NPC1 (0.56) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL10113610 0.84 ALDH1A1 (0.44) GAAKMT2AALDH1A1LMNARAB9A
SCHEMBL10113822 0.83 HTT (0.52) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL10113835 0.83 ALDH1A1 (0.47) GAAKMT2AALDH1A1LMNANPC1
SCHEMBL11935079 0.82 GRIA1 (0.47) GAAKMT2ALMNA
SCHEMBL10115364 0.81 MEN1 (0.58) KMT2AALDH1A1NPC1RAB9A
SCHEMBL10115238 0.81 F2 (0.46) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL13972724 0.80 ALDH1A1 (0.48) KMT2AALDH1A1LMNAHDAC6
SCHEMBL10115264 0.80 HDAC6 (0.62) KMT2AALDH1A1LMNAHDAC6
SCHEMBL10113763 0.80 L3MBTL1 (0.58) GAAKMT2AALDH1A1LMNAL3MBTL1

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 GAA 3448/4885KMT2A 2912/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885KMT2A 2768/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885KMT2A 2953/4885ALDH1A1 4517/4885

“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.