SCHEMBL10116516

SCHEMBL10116516

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 9/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MCL1 Q07820 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
PKM P14618 1/20 0.50
NR4A1 P22736 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL10116579 0.85 MAPT (0.51) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL10116504 0.85 MAPT (0.69) ALDH1A1MAPTKMT2AUSP2HSD17B10
SCHEMBL10116232 0.84 MAPT (0.54) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL10116701 0.82 MEN1 (0.61) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL10116685 0.81 KDM4E (0.57) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL13204906 0.81 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL10116495 0.81 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL10134536 0.81 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL10116497 0.81 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AUSP2
SCHEMBL13204910 0.81 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AUSP2

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 ALDH1A1 4558/4885LMNA 1925/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885MAPT 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.