SCHEMBL10113755

SCHEMBL10113755

CCCCc1ccc(NC(=O)CCCCN(C)[S+]([O-])C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.55
SIRT1 Q96EB6 6/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.50
HPGD P15428 3/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ENPP2 Q13822 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL10113476 0.84 SIRT2 (0.55) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL11935062 0.80 ACHE (0.40) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10113647 0.80 NPC1 (0.56) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL12882292 0.79 SIRT2 (0.56) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL4081226 0.78 POLB (0.73) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL13716202 0.78 POLB (0.73) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL27663784 0.76 HPGD (0.67) SIRT2SIRT1NPC1RAB9ASMN1; SMN2
SCHEMBL25269210 0.75 ENPP2 (0.69) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL27909135 0.75 ENPP2 (0.69) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL9842929 0.75 POLB (0.73) NPC1RAB9ASMN1; SMN2POLBHPGD

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 5 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SIRT2 1538/4885SIRT1 1604/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SIRT2 1397/4885SIRT1 1347/4885NPC1 1353/4885

“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.