SCHEMBL2942841

SCHEMBL2942841

CC(=O)OCc1cccc(C(=O)C(C(=O)c2cccc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MIF P14174 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL2942825 0.94 ALDH1A1 (0.42) MAOBKDM4EGAASTAT1RAB9A
SCHEMBL2944822 0.83 CES2 (0.47) MAOBKDM4EGAAMAPTCYP2D6
SCHEMBL2939960 0.79 CES2 (0.35) KDM4ERAB9AALDH1A1MAPTCES2
SCHEMBL2942729 0.79 ALOX5 (0.34) MAOBKDM4EGAASTAT1RAB9A
SCHEMBL13034121 0.79 ALDH1A1 (0.61) MAOBKDM4EGAASTAT1RAB9A
SCHEMBL2947464 0.78 CES2 (0.40) RAB9AMAPTCYP2D6MRGPRX4CES2
SCHEMBL2945431 0.77 CES2 (0.39) RAB9AMMP1MMP2MMP9MMP12
SCHEMBL2942138 0.77 CES2 (0.38) MAOBGAAALDH1A1CYP1A2CYP2D6
SCHEMBL5480751 0.76 CES2 (0.40) MAOBKDM4EGAAALDH1A1CYP1A2
SCHEMBL2944394 0.75 CES2 (0.41) MAOBGAAALDH1A1MAPTCES2

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 MAOB 3239/4885KDM4E 392/4885GAA 4076/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR MAOB 3161/4885KDM4E 277/4885GAA 3631/4885

“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.