SCHEMBL10134140

SCHEMBL10134140

CC1CN(c2c(F)c(F)c(NC(=O)CCCCNS(=O)(=O)C(C)C)c(F)c2F)CC(C)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
GRIA1 P42261 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR1A P08908 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL10115239 1.00 HDAC6 (0.37) HDAC6GRIA1ALDH1A1HPGDMEN1
SCHEMBL10115013 0.86 HDAC6 (0.37) HDAC6ALDH1A1HPGDMEN1KMT2A
SCHEMBL12881994 0.86 HDAC6 (0.37) HDAC6ALDH1A1HPGDMEN1KMT2A
SCHEMBL10115255 0.84 HDAC6 (0.39) HDAC6GRIA1ALDH1A1HPGDMEN1
SCHEMBL13565224 0.84 GRIA1 (0.42) GRIA1HTR1A
SCHEMBL17090456 0.84 GRIA1 (0.42) GRIA1HTR1A
SCHEMBL10115363 0.81 ALDH1A1 (0.40) HDAC6GRIA1ALDH1A1MEN1KMT2A
SCHEMBL13204591 0.81 ALDH1A1 (0.40) HDAC6GRIA1ALDH1A1MEN1KMT2A
SCHEMBL10115306 0.81 GAA (0.41) HDAC6GRIA1ALDH1A1MEN1KMT2A
SCHEMBL10115300 0.81 KMT2A (0.38) HDAC6ALDH1A1HPGDMEN1KMT2A

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-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

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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885GRIA1 251/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885GRIA1 277/4885ALDH1A1 4517/4885

“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.