SCHEMBL10113740

SCHEMBL10113740

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 2/20 0.49
NPC1 O15118 2/20 0.49
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 2/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL10113879 0.86 MGLL (0.44) LMNARAB9APKMNPC1ALDH1A1
SCHEMBL10113460 0.85 LMNA (0.55) LMNARAB9APKMNPC1MDM2
SCHEMBL17090341 0.84 NPY5R (0.49) LMNARAB9APKMNPC1MDM2
SCHEMBL10113787 0.80 HDAC6 (0.58) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10115335 0.80 HDAC6 (0.58) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10113721 0.78 ALDH1A1 (0.54) LMNAALDH1A1KMT2APOLBGAA
SCHEMBL10115197 0.78 ALDH1A1 (0.68) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL17089983 0.78 PTPN1 (0.45) PKMALDH1A1KMT2APOLBMAPT
SCHEMBL10115264 0.77 HDAC6 (0.62) LMNAPKMALDH1A1KMT2AMEN1
SCHEMBL10115351 0.77 LMNA (0.53) LMNARAB9AALDH1A1KMT2APOLB

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 LMNA 1925/4885RAB9A 3699/4885PKM 4420/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885RAB9A 3651/4885PKM 4271/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885RAB9A 3820/4885PKM 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.