SCHEMBL10116655

SCHEMBL10116655

Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNE1 P15382 2/20 0.48
KCNQ1 P51787 2/20 0.48
POLB P06746 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SLC2A1 P11166 1/20 0.47

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
SCHEMBL10116618 0.90 NPC1 (0.58) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10116496 0.84 SMN1; SMN2 (0.55) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL10116617 0.83 GRIA2 (0.56) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL10116646 0.82 KDM4E (0.45) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL10116634 0.82 MEN1 (0.61) NPC1RAB9AKMT2ALMNAMEN1
SCHEMBL10116477 0.82 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL10116364 0.82 MAPT (0.53) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL10116628 0.81 KMT2A (0.50) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL10116659 0.81 MAPT (0.50) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL10116653 0.81 KMT2A (0.52) NPC1RAB9AMAPTALDH1A1TP53

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-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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 NPC1 1435/4885RAB9A 3699/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885MAPT 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.