SCHEMBL10113790

SCHEMBL10113790

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.74
HDAC1 Q13547 10/20 0.65
HDAC2 Q92769 10/20 0.65
HDAC3 O15379 9/20 0.65
HDAC10 Q969S8 9/20 0.65
HDAC4 P56524 8/20 0.65
HDAC7 Q8WUI4 8/20 0.65
HDAC11 Q96DB2 8/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC9 Q9UKV0 8/20 0.65
HDAC5 Q9UQL6 8/20 0.65
ACP1 P24666 1/20 0.51
NOTUM Q6P988 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10113788 0.86 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL10113537 0.85 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL5458681 0.85 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13564805 0.83 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL24359689 0.82 HDAC1 (0.73) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL31158407 0.82 HDAC1 (0.73) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL10115297 0.80 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL15477455 0.79 HDAC1 (0.81) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL30444576 0.79 HDAC1 (0.81) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL20509078 0.79 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC3HDAC10

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 HDAC6 1853/4885HDAC1 1995/4885HDAC2 1548/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885HDAC1 1703/4885HDAC2 1458/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885HDAC1 2021/4885HDAC2 1524/4885

“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.