SCHEMBL2944402

SCHEMBL2944402

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
MAPK14 Q16539 1/20 0.35
BLM P54132 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RECQL P46063 3/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
PMP22 Q01453 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.31
NR1I2 O75469 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
SCHEMBL2948367 0.90 MAPK14 (0.39) CES2CES1MAPK14TSHRADRB2
SCHEMBL2947996 0.90 MAPK14 (0.39) CES2CES1MAPK14TSHRADRB2
SCHEMBL2948013 0.90 MAPK14 (0.39) CES2CES1MAPK14TSHRADRB2
SCHEMBL3019789 0.87 CES2 (0.34) CES2CES1MAPK14NR1I2TRPM8
SCHEMBL2946661 0.85 CES2 (0.33) CES2CES1MAPK14GPR139
SCHEMBL13239948 0.85 PNMT (0.37) PNMTBLMKDM4ERECQLMAPT
SCHEMBL2947358 0.84 NPC1 (0.38) CES2CES1LMNAADRB2ADRB1
SCHEMBL2943148 0.84 CES2 (0.43) CES2CES1MAPK14KDM4EMAPT
SCHEMBL2947177 0.84 CES2 (0.43) CES2CES1MAPK14KDM4EMAPT
SCHEMBL2941752 0.81 CES2 (0.40) CES2CES1LMNATSHRPARP1

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 PNMT 2975/4885CES2 4083/4885CES1 1983/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR PNMT 3024/4885CES2 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.