SCHEMBL10114487

SCHEMBL10114487

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.66
NPC1 O15118 10/20 0.66
SMN1; SMN2 Q16637 9/20 0.66
NFKB1 P19838 5/20 0.66
NFKB2 Q00653 5/20 0.66
RELA Q04206 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MAPT P10636 4/20 0.66
TP53 P04637 2/20 0.62
HTT P42858 2/20 0.61
GAA P10253 1/20 0.61
TRPV1 Q8NER1 1/20 0.58
LY96 Q9Y6Y9 1/20 0.55
LMNA P02545 4/20 0.53
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
PLAU P00749 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL10116282 0.83 HPGD (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10114531 0.82 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10116240 0.82 MEN1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10116363 0.82 RAB9A (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13222543 0.81 RAB9A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10116315 0.80 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10116238 0.80 KDM4E (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21468516 0.79 NPC1 (0.68) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29669746 0.79 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28256407 0.79 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 RAB9A 3699/4885NPC1 1435/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885SMN1; SMN2 2251/4885

“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.