SCHEMBL10113573

SCHEMBL10113573

CCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL10113565 0.89 CNR2 (0.45) HDAC6ALDH1A1CNR1CNR2
SCHEMBL10113844 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC6ALDH1A1NCOR2
SCHEMBL10113571 0.84 MAPT (0.50) ALDH1A1
SCHEMBL13564906 0.84 LMNA (0.39) ALDH1A1
SCHEMBL10113497 0.83 L3MBTL1 (0.58) ALDH1A1CNR1CNR2
SCHEMBL10113560 0.82 THRB (0.53) ALDH1A1CNR1CNR2
SCHEMBL10113603 0.77 CYP2D6 (0.45) CNR1CNR2
SCHEMBL10113595 0.77 EPHX2 (0.57) HDAC3HDAC1HDAC6CNR2
SCHEMBL10113611 0.77 GAA (0.45) ALDH1A1CNR1CNR2
SCHEMBL10113563 0.76 ALDH1A1 (0.47) HDAC6ALDH1A1CNR1CNR2

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 6 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-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-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 (2 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 HDAC3 664/4885HDAC1 1995/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885HDAC6 1602/4885

“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.