SCHEMBL10116309

SCHEMBL10116309

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK10 P53779 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHPS P49366 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 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
SCHEMBL10116580 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL10114514 0.82 L3MBTL1 (0.58) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL14424209 0.80 RAB9A (0.53) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL20887163 0.80 NPC1 (0.68) NPC1RAB9AHPGDKDM4EMAPT
SCHEMBL13565014 0.79 NPC1 (0.43) NPC1RAB9AHPGDMAPTCA1
SCHEMBL10116197 0.77 RAB9A (0.56) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL14424318 0.75 RAB9A (0.53) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL10116199 0.75 SMN1; SMN2 (0.60) ALDH1A1HPGDMAPTMAPK10LMNA
SCHEMBL10116182 0.74 KMT2A (0.57) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL10116240 0.74 MEN1 (0.55) NPC1RAB9AALDH1A1KDM4EMAPT

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 10 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-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 NPC1 1435/4885RAB9A 3699/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885ALDH1A1 4517/4885

“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.