SCHEMBL2948013

SCHEMBL2948013

O=C(C(C(=O)c1cccc([C@H](O)CO)c1)=C1Nc2ccccc2N1)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
GPR139 Q6DWJ6 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ROCK2 O75116 1/20 0.30
PAK4 O96013 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL2947996 1.00 MAPK14 (0.39) MAPK14CES2CES1GPR139USP2
SCHEMBL2948367 1.00 MAPK14 (0.39) MAPK14CES2CES1GPR139USP2
SCHEMBL2947177 0.94 CES2 (0.43) MAPK14CES2CES1GPR139USP2
SCHEMBL2943148 0.94 CES2 (0.43) MAPK14CES2CES1GPR139USP2
SCHEMBL2944402 0.90 PNMT (0.38) MAPK14CES2CES1GPR139CYP3A4
SCHEMBL2939933 0.90 MAPK14 (0.37) MAPK14CES2CES1
SCHEMBL12051838 0.89 MAPK14 (0.36) MAPK14CES2CES1CYP3A4
SCHEMBL12051724 0.89 MAPK14 (0.36) MAPK14CES2CES1CYP3A4
SCHEMBL12051815 0.88 CES2 (0.35) MAPK14CES2CES1
SCHEMBL3019789 0.88 CES2 (0.34) MAPK14CES2CES1GPR139

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 MAPK14 2684/4885CES2 4083/4885CES1 1983/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR MAPK14 2133/4885CES2 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.