SCHEMBL10113602

SCHEMBL10113602

CN(C)c1ccc(CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.57
HDAC2 Q92769 11/20 0.57
HDAC10 Q969S8 11/20 0.57
HDAC8 Q9BY41 11/20 0.57
HDAC6 Q9UBN7 11/20 0.57
HDAC3 O15379 10/20 0.57
HDAC4 P56524 10/20 0.57
HDAC7 Q8WUI4 10/20 0.57
HDAC11 Q96DB2 10/20 0.57
HDAC9 Q9UKV0 10/20 0.57
HDAC5 Q9UQL6 10/20 0.57
GAA P10253 2/20 0.48
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
GLS O94925 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL12882346 0.85 LMNA (0.61) HDAC1HDAC2HDAC8HDAC3POLB
SCHEMBL10113877 0.83 HDAC1 (0.57) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10113178 0.83 ALDH1A1 (0.56) POLBCA2CA1ALDH1A1MEN1
SCHEMBL10115242 0.83 HDAC3 (0.60) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10113494 0.83 STS (0.50) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL17089976 0.81 CA1 (0.50) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10113591 0.79 HDAC1 (0.53) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10113605 0.79 MGLL (0.44) POLBCA2CA1ALDH1A1KMT2A
SCHEMBL13716200 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10113596 0.75 TRPV1 (0.48) ALDH1A1MEN1KMT2A

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 4 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-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 1995/4885HDAC2 1548/4885HDAC10 1376/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC2 1458/4885HDAC10 1144/4885

“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.