SCHEMBL10114033

SCHEMBL10114033

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 3/20 0.42
TYR P14679 1/20 0.42

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
SCHEMBL13203777 0.87 RAB9A (0.47) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL10133352 0.87 RAB9A (0.47) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL13565678 0.83 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL10113981 0.78 RAB9A (0.61) KMT2AMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL13222358 0.76 MEN1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL10114034 0.74 EPHX1 (0.46) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL13523286 0.74 METAP2 (0.45) KMT2AALDH1A1KDM4EPOLBUSP2
SCHEMBL10113796 0.74 MEN1 (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10114013 0.73 EPHX2 (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10114053 0.73 EPHX2 (0.54) MEN1KMT2AMAPTALDH1A1

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 2912/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885MAPT 3683/4885

“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.