SCHEMBL10115364

SCHEMBL10115364

COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.56
TSHR P16473 2/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.90 NPC1 (0.56) MAPTALDH1A1ALPLNPC1RAB9A
SCHEMBL10115243 0.88 L3MBTL1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10115238 0.87 F2 (0.46) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL10115018 0.85 MEN1 (0.58) MEN1KMT2APKMTSHRPOLB
SCHEMBL11935747 0.83 GRIA1 (0.46) MEN1KMT2APKMTSHRPOLB
SCHEMBL10115234 0.83 MEN1 (0.58) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL10115510 0.82 F2 (0.46) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL10113903 0.82 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL10113765 0.82 L3MBTL1 (0.68) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL10113883 0.81 GAA (0.46) KMT2AALDH1A1NPC1RAB9A

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 MEN1 2876/4885KMT2A 2912/4885PKM 4420/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885PKM 4271/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885PKM 4408/4885

“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.