SCHEMBL10113713

SCHEMBL10113713

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 11/20 0.56
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.54
RAB9A P51151 5/20 0.54
TP53 P04637 3/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.52

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
SCHEMBL10113891 0.93 RAB9A (0.63) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10115387 0.86 RAB9A (0.46) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10113450 0.84 MAPT (0.55) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10114814 0.83 LMNA (0.63) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13564817 0.82 MAPT (0.49) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13972724 0.80 ALDH1A1 (0.48) LMNAALDH1A1KDM4EKMT2A
SCHEMBL10115323 0.80 HDAC3 (0.50) LMNAALDH1A1MAPT
SCHEMBL10115477 0.79 HDAC6 (0.48) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10115243 0.79 L3MBTL1 (0.56) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10113895 0.79 MAPK1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2KDM4E

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