SCHEMBL2007967

SCHEMBL2007967

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.36
KAT6A Q92794 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
CASP6 P55212 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
F2 P00734 1/20 0.31
TMPRSS6 Q8IU80 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
SCHEMBL2007834 0.89 KAT6A (0.35) ALDH1A1KAT6AGAAMAPTAKR1C3
SCHEMBL2006932 0.88 AKR1C3 (0.37) ALDH1A1MAPK1PKMKAT6AGAA
SCHEMBL2006868 0.86 KAT6A (0.33) ALDH1A1MAPK1PKMKAT6AGAA
SCHEMBL2005053 0.86 GAA (0.35) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2009835 0.85 KAT6A (0.35) ALDH1A1PKMKAT6AGAAMAPT
SCHEMBL2008888 0.85 GAA (0.37) ALDH1A1PKMKAT6AGAAMAPT
SCHEMBL2006900 0.84 KAT6A (0.38) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2008660 0.83 HTT (0.34) KAT6AGAAMAPTAKR1C3KMT2A
SCHEMBL2008403 0.83 KAT6A (0.37) KAT6AGAAMAPTAKR1C3F2
SCHEMBL2007971 0.82 F2 (0.37) ALDH1A1MAPK1PKMKMT2AF2

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 ALDH1A1 2646/4885MAPK1 698/4885PKM 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.