SCHEMBL10115513

SCHEMBL10115513

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 2/20 0.46
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL10115554 0.92 ENPP3 (0.49) LMNASMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL13565518 0.89 LMNA (0.53) LMNASMN1; SMN2ALDH1A1NPSR1KCNK3
SCHEMBL10115271 0.86 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1NPSR1HDAC6
SCHEMBL10115413 0.83 ANO1 (0.51) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10115434 0.83 HDAC4 (0.44) ALDH1A1HDAC6MEN1KMT2AHTR1A
SCHEMBL10113718 0.82 HTR1A (0.60) LMNAALDH1A1HDAC6MEN1KMT2A
SCHEMBL10115425 0.82 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL10115523 0.82 HDAC4 (0.45) LMNASMN1; SMN2ALDH1A1HDAC6MEN1
SCHEMBL10113722 0.82 HDAC6 (0.61) LMNAALDH1A1HDAC6MEN1KMT2A
SCHEMBL10113766 0.80 EPHX2 (0.54) LMNASMN1; SMN2ALDH1A1HDAC6MEN1

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 1925/4885SMN1; SMN2 2213/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885SMN1; SMN2 2197/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885SMN1; SMN2 2251/4885ALDH1A1 4517/4885

“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.