SCHEMBL2944394

SCHEMBL2944394

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CHEK1 O14757 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SNCA P37840 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAOB P27338 3/20 0.38
KCNK3 O14649 3/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4323510 0.86 CES2 (0.46) CES2CES1KMT2AMEN1KCNK3
SCHEMBL2939960 0.84 CES2 (0.35) CES2CES1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4325850 0.83 PBRM1 (0.41) CES2CES1KMT2AMEN1KCNK3
SCHEMBL2947028 0.82 UNG (0.43) CES2CES1KMT2AMEN1SNCA
SCHEMBL2947464 0.82 CES2 (0.40) CES2CES1KMT2AMEN1MAPT
SCHEMBL2942825 0.81 ALDH1A1 (0.42) CES2CES1GAAMAPTMAOB
SCHEMBL2945431 0.81 CES2 (0.39) CES2CES1KMT2AMEN1SNCA
SCHEMBL2946647 0.81 CES2 (0.39) CES2CES1KMT2AMEN1SNCA
SCHEMBL2008888 0.81 GAA (0.37) CES2CES1KMT2AGAAMAPT
SCHEMBL2014079 0.80 CA2 (0.39) CES2CES1KMT2AMEN1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 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 (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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR CES2 4083/4885CES1 1983/4885CHEK1 4695/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR CES2 4228/4885CES1 2243/4885CHEK1 4543/4885

“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.