SCHEMBL2004431

SCHEMBL2004431

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 8/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 6/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2007472 0.85 CES2 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2014079 0.85 CA2 (0.39) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2006954 0.83 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2006952 0.83 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2008888 0.83 GAA (0.37) KMT2AALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL2009836 0.81 F2 (0.40) KMT2AMAPTGAA
SCHEMBL2006868 0.81 KAT6A (0.33) KMT2AALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL2008403 0.81 KAT6A (0.37) L3MBTL1MAPTGAA
SCHEMBL2006956 0.81 KAT6A (0.37) ALDH1A1L3MBTL1MAPTGAATSHR
SCHEMBL2007967 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTGAA

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 MEN1 1019/4885KMT2A 1359/4885ALDH1A1 2646/4885

“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.