SCHEMBL2009835

SCHEMBL2009835

CC(=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 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
AKR1C3 P42330 1/20 0.32
KMT2A Q03164 2/20 0.32
ACLY P53396 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
CASP6 P55212 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PKM P14618 1/20 0.31
BDKRB1 P46663 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
SCHEMBL2006900 0.91 KAT6A (0.38) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2008888 0.90 GAA (0.37) KAT6AGAAMAPTALDH1A1LMNA
SCHEMBL2006868 0.90 KAT6A (0.33) KAT6AGAAMAPTALDH1A1LMNA
SCHEMBL2008660 0.87 HTT (0.34) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2007834 0.86 KAT6A (0.35) KAT6AGAAMAPTALDH1A1AKR1C3
SCHEMBL2008403 0.86 KAT6A (0.37) KAT6AGAAMAPTAKR1C3CES2
SCHEMBL2006932 0.85 AKR1C3 (0.37) KAT6AGAAMAPTALDH1A1AKR1C3
SCHEMBL2007967 0.85 ALDH1A1 (0.38) KAT6AGAAMAPTALDH1A1AKR1C3
SCHEMBL2005053 0.84 GAA (0.35) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2006956 0.84 KAT6A (0.37) KAT6AGAAMAPTALDH1A1AKR1C3

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 3409/4885MAPT 4394/4885

“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.