SCHEMBL2947404

SCHEMBL2947404

O=Cc1cccc(C(=O)C(C(=O)c2cccc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
UNG P13051 1/20 0.44
PARP1 P09874 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KCNK3 O14649 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
IDH1 O75874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
HPGD P15428 2/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL2947028 0.94 UNG (0.43) CES2CES1UNGPARP1MAOA
SCHEMBL2948439 0.84 CES2 (0.42) CES2CES1PARP1MAOAMAOB
SCHEMBL2948442 0.84 CES2 (0.42) CES2CES1PARP1MAOAMAOB
SCHEMBL13239947 0.84 UNG (0.46) CES2CES1UNGKMT2AMEN1
SCHEMBL2946647 0.82 CES2 (0.39) CES2CES1UNGPARP1KMT2A
SCHEMBL4334703 0.80 UNG (0.36) CES2CES1UNGKMT2AMEN1
SCHEMBL4334695 0.80 UNG (0.36) CES2CES1UNGKMT2AMEN1
SCHEMBL2944822 0.80 CES2 (0.47) CES2CES1PARP1MAOBKMT2A
SCHEMBL2942720 0.79 CES2 (0.35) CES2CES1GPR52MAPT
SCHEMBL2942718 0.79 CES2 (0.35) CES2CES1GPR52MAPT

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 1983/4885UNG 4600/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR CES2 4228/4885CES1 2243/4885UNG 4623/4885

“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.