SCHEMBL10113153

SCHEMBL10113153

CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MERTK Q12866 3/20 0.47
TYRO3 Q06418 2/20 0.47
GAS6 Q14393 2/20 0.47
FLT3 P36888 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDR P35968 1/20 0.42
NR3C1 P04150 1/20 0.42
GALR3 O60755 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TRPV1 Q8NER1 2/20 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
SCHEMBL10113151 0.89 KDM4E (0.47) KDM4EMERTKTYRO3GAS6FLT3
SCHEMBL10113171 0.86 MERTK (0.45) KDM4EMERTKTYRO3GAS6FLT3
SCHEMBL13565386 0.80 HPGD (0.39) KDM4EFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL10113168 0.78 NPC1 (0.58) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10113382 0.76 KDM4E (0.48) KDM4EMERTKTYRO3GAS6FLT3
SCHEMBL10113174 0.76 KDM4E (0.58) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10112883 0.75 KDM4E (0.75) KDM4ENPC1RAB9ASMN1; SMN2GALR3
SCHEMBL10803341 0.75 KDM4E (0.75) KDM4ENPC1RAB9ASMN1; SMN2GALR3
SCHEMBL10112986 0.73 STING1 (0.56) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL13565388 0.73 HPGD (0.39) KDM4EFLT3NPC1RAB9ASMN1; SMN2

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-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 KDM4E 1668/4885MERTK 1358/4885TYRO3 155/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885MERTK 1488/4885TYRO3 147/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885MERTK 1292/4885TYRO3 149/4885

“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.