SCHEMBL2947028

SCHEMBL2947028

O=Cc1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.43
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 2/20 0.32
KCNK3 O14649 2/20 0.32
MEN1 O00255 1/20 0.32
PARP1 P09874 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.31
IDH1 O75874 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
NPY5R Q15761 1/20 0.31
SNCA P37840 1/20 0.31
NAT1 P18440 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
SCHEMBL2947404 0.94 CES2 (0.47) UNGCES2CES1TRIM24TRIM33
SCHEMBL2946647 0.89 CES2 (0.39) UNGCES2CES1KMT2AKCNK3
SCHEMBL4334695 0.86 UNG (0.36) UNGCES2CES1TRIM24TRIM33
SCHEMBL4334703 0.86 UNG (0.36) UNGCES2CES1TRIM24TRIM33
SCHEMBL2942718 0.85 CES2 (0.35) CES2CES1EGFRSNCAALDH1A1
SCHEMBL2942720 0.85 CES2 (0.35) CES2CES1EGFRSNCAALDH1A1
SCHEMBL4323510 0.84 CES2 (0.46) CES2CES1KMT2AKCNK3MEN1
SCHEMBL13239947 0.83 UNG (0.46) UNGCES2CES1TRIM24TRIM33
SCHEMBL2944394 0.82 CES2 (0.41) CES2CES1MAOBKMT2AKCNK3
Hydrochloric Acid SCHEMBL4325850 0.81 PBRM1 (0.41) CES2CES1KMT2AKCNK3MEN1

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 UNG 4600/4885CES2 4083/4885CES1 1983/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR UNG 4623/4885CES2 4228/4885CES1 2243/4885

“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.