SCHEMBL10116746

SCHEMBL10116746

Cc1cc(-c2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.46
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
PKM P14618 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HDAC3 O15379 1/20 0.39
MCHR1 Q99705 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL10116437 0.85 HDAC2 (0.46) HDAC2RAB9ALMNAALOX12PKM
SCHEMBL10116739 0.82 MAPT (0.43) RAB9APKMMAPTMEN1NPC1
SCHEMBL10116386 0.78 RAB9A (0.48) HDAC2RAB9ALMNAPKMMAPT
SCHEMBL17090258 0.78 PRMT6 (0.40) MAPTMEN1KMT2ATP53TAAR1
SCHEMBL10116691 0.76 TAAR1 (0.55) RAB9ALMNAMAPTMEN1NPC1
SCHEMBL10116743 0.74 LCLAT1 (0.51) HDAC2LMNAMAPTMEN1KMT2A
SCHEMBL10115483 0.74 POLB (0.39) HDAC2RAB9ALMNAPKMMAPT
SCHEMBL10114934 0.74 GSK3A (0.45) RAB9AMEN1NPC1KMT2ATAAR1
SCHEMBL14424387 0.74 GSK3A (0.45) RAB9AMEN1NPC1KMT2ATAAR1
SCHEMBL10116726 0.73 RAB9A (0.40) RAB9ALMNAALOX12MAPTMEN1

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 HDAC2 1548/4885RAB9A 3699/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC2 1458/4885RAB9A 3651/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC2 1524/4885RAB9A 3820/4885LMNA 1857/4885

“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.