SCHEMBL10113591

SCHEMBL10113591

CC(C)(C)S(=O)(=O)NCCCCC(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC2 Q92769 4/20 0.53
NPY1R P25929 1/20 0.46
NPY5R Q15761 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL10113866 0.84 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC2NPY1R
SCHEMBL13564784 0.82 NPY5R (0.67) HDAC1HDAC8HDAC3HDAC2NPY1R
SCHEMBL10113545 0.82 CA2 (0.44) NPY5RMEN1KMT2AGAA
SCHEMBL10113178 0.81 ALDH1A1 (0.56) MEN1KMT2ATRPV1
SCHEMBL12882346 0.81 LMNA (0.61) HDAC1HDAC8HDAC3HDAC2MEN1
SCHEMBL10113597 0.81 HDAC1 (0.64) HDAC1HDAC2KMT2APKMHDAC6
SCHEMBL10113602 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2MEN1
SCHEMBL10115242 0.79 HDAC3 (0.60) HDAC1HDAC8HDAC3HDAC2MEN1
SCHEMBL10113494 0.79 STS (0.50) HDAC1HDAC8HDAC3HDAC2TRPV1
SCHEMBL27403714 0.79 EPHX2 (0.67) HDAC1HDAC8HDAC3HDAC2MEN1

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 HDAC1 1995/4885HDAC8 706/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC8 634/4885HDAC3 489/4885

“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.