SCHEMBL10116569

SCHEMBL10116569

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc2c1OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.56
NPC1 O15118 11/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 6/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL10116554 0.85 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10116277 0.85 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10116551 0.80 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11936082 0.79 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10116560 0.78 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10116460 0.74 NPC1 (0.67) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10116231 0.74 THRB (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10116617 0.74 GRIA2 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10116655 0.73 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL13222614 0.73 RAB9A (0.40) RAB9ANPC1MAPTSMN1; SMN2MEN1

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 1435/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885MAPT 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.