SCHEMBL2006868

SCHEMBL2006868

CN(C)C(=O)C(=N)NS(=O)(=O)c1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
AKR1C3 P42330 1/20 0.31
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACLY P53396 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP6 P55212 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL2009835 0.90 KAT6A (0.35) KAT6AGAAPKMALDH1A1MAPT
SCHEMBL2006900 0.89 KAT6A (0.38) KAT6AGAAMAPTKMT2AAKR1C3
SCHEMBL2007967 0.86 ALDH1A1 (0.38) KAT6AGAAPKMALDH1A1MAPK1
SCHEMBL2008888 0.85 GAA (0.37) KAT6AGAAPKMALDH1A1MAPT
SCHEMBL2008660 0.84 HTT (0.34) KAT6AGAAMAPTKMT2AAKR1C3
SCHEMBL2007834 0.84 KAT6A (0.35) KAT6AGAAALDH1A1MAPTKMT2A
SCHEMBL2008403 0.83 KAT6A (0.37) KAT6AGAAMAPTAKR1C3L3MBTL1
SCHEMBL2006932 0.83 AKR1C3 (0.37) KAT6AGAAPKMALDH1A1MAPK1
SCHEMBL2005053 0.81 GAA (0.35) KAT6AGAAMAPTKMT2AAKR1C3
SCHEMBL2006956 0.81 KAT6A (0.37) KAT6AGAAALDH1A1MAPTAKR1C3

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
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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 (1 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR KAT6A 3899/4885GAA 3409/4885PKM 2226/4885

“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.