SCHEMBL10115013

SCHEMBL10115013

C[C@@H]1CN(c2c(F)c(F)c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12881994 1.00 HDAC6 (0.37) HDAC6MEN1KMT2AALDH1A1HPGD
SCHEMBL10115239 0.86 HDAC6 (0.37) HDAC6MEN1KMT2AALDH1A1HPGD
SCHEMBL10134140 0.86 HDAC6 (0.37) HDAC6MEN1KMT2AALDH1A1HPGD
SCHEMBL10115055 0.84 HDAC6 (0.39) HDAC6MEN1KMT2AALDH1A1GAA
SCHEMBL13565896 0.84 NPY5R (0.33)
SCHEMBL17090545 0.84 NPY5R (0.33)
SCHEMBL10115048 0.81 GAA (0.41) HDAC6MEN1KMT2AALDH1A1GAA
SCHEMBL13204526 0.81 ALDH1A1 (0.40) HDAC6MEN1KMT2AALDH1A1GAA
SCHEMBL10115093 0.81 ALDH1A1 (0.40) HDAC6MEN1KMT2AALDH1A1GAA
SCHEMBL10115104 0.79 KMT2A (0.39) HDAC6MEN1KMT2AALDH1A1GAA

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 9 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-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-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 (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 HDAC6 1853/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885MEN1 2932/4885KMT2A 2768/4885

“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.