SCHEMBL10113508

SCHEMBL10113508

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.46
ALDH1A1 P00352 4/20 0.45
HDAC1 Q13547 6/20 0.44
HDAC3 O15379 5/20 0.44
NPY5R Q15761 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 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
SCHEMBL10113773 0.84 HDAC6 (0.46) HDAC6ALDH1A1HDAC1HDAC3NPY5R
SCHEMBL13564782 0.82 ALDH1A1 (0.42) HDAC6ALDH1A1HDAC1NPY5RCYP1A2
SCHEMBL10114993 0.80 HDAC3 (0.53) HDAC6ALDH1A1HDAC1HDAC3HDAC7
SCHEMBL9815030 0.78 EP300 (0.60) HDAC6ALDH1A1HDAC1HDAC3LMNA
SCHEMBL10113551 0.78 ALDH1A1 (0.57) HDAC6ALDH1A1HDAC3LMNAKDM4E
SCHEMBL10115001 0.78 KMT2A (0.54) ALDH1A1HDAC1HDAC3CYP1A2CYP2C19
SCHEMBL10113547 0.78 HTT (0.56) HDAC6ALDH1A1HDAC1HDAC3LMNA
SCHEMBL10114989 0.77 HDAC6 (0.67) HDAC6ALDH1A1HDAC1HDAC3LMNA
SCHEMBL9815026 0.77 ALDH1A1 (0.51) HDAC6ALDH1A1HDAC1HDAC3CYP1A2
SCHEMBL13972704 0.76 CYP1A2 (0.43) HDAC6ALDH1A1HDAC1HDAC3LMNA

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 7 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-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-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 (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 1853/4885ALDH1A1 4558/4885HDAC1 1995/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885ALDH1A1 4599/4885HDAC1 1703/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885ALDH1A1 4517/4885HDAC1 2021/4885

“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.