SCHEMBL10113624

SCHEMBL10113624

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PARP1 P09874 1/20 0.61
PARP10 Q53GL7 1/20 0.61
HDAC6 Q9UBN7 4/20 0.52
ALDH1A1 P00352 3/20 0.50
F2 P00734 5/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43

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
SCHEMBL10113615 0.91 ALDH1A1 (0.59) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10113445 0.86 HDAC6 (0.61) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10113630 0.85 MEN1 (0.47) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10115285 0.85 MEN1 (0.47) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10113438 0.85 MEN1 (0.59) MEN1KMT2AHDAC6ALDH1A1CA1
SCHEMBL11935609 0.85 HTR7 (0.47) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10113561 0.85 ALDH1A1 (0.53) MEN1KMT2AHDAC6ALDH1A1CA1
SCHEMBL10113183 0.85 EPHX2 (0.54) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL10113893 0.84 MEN1 (0.68) MEN1KMT2APARP1PARP10HDAC6
SCHEMBL10114985 0.84 KMT2A (0.52) MEN1KMT2AHDAC6ALDH1A1CA1

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 9 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-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-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 MEN1 2876/4885KMT2A 2912/4885PARP1 4529/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885PARP1 3959/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885PARP1 4523/4885

“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.