SCHEMBL10113832

SCHEMBL10113832

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HDAC6 Q9UBN7 5/20 0.52
HDAC4 P56524 3/20 0.52
HTR1A P08908 1/20 0.49
POLB P06746 1/20 0.49
NLRP3 Q96P20 2/20 0.48
LMNA P02545 2/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NCOR2 Q9Y618 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10113718 0.88 HTR1A (0.60) ALDH1A1HDAC6HDAC4HTR1APOLB
SCHEMBL10113766 0.88 EPHX2 (0.54) ALDH1A1HDAC6HDAC4HTR1ALMNA
SCHEMBL10113722 0.87 HDAC6 (0.61) ALDH1A1HDAC6HDAC4HTR1APOLB
SCHEMBL10115328 0.87 KMT2A (0.52) ALDH1A1HDAC6HDAC4HTR1ALMNA
SCHEMBL12882398 0.87 HDAC6 (0.65) ALDH1A1HDAC6HDAC4HTR1APOLB
SCHEMBL10113886 0.87 ALDH1A1 (0.59) ALDH1A1HDAC6HTR1APOLBLMNA
SCHEMBL10115297 0.86 HDAC6 (0.67) ALDH1A1HDAC6HDAC4LMNAHDAC3
SCHEMBL10113893 0.85 MEN1 (0.68) ALDH1A1HDAC6HDAC4HTR1ALMNA
SCHEMBL10113725 0.85 ALDH1A1 (0.54) ALDH1A1HDAC6HDAC4HTR1ALMNA
SCHEMBL13972724 0.84 ALDH1A1 (0.48) ALDH1A1HDAC6HDAC4HTR1ALMNA

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 ALDH1A1 4558/4885HDAC6 1853/4885HDAC4 1959/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HDAC6 1602/4885HDAC4 1752/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HDAC6 1849/4885HDAC4 1896/4885

“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.