SCHEMBL2568067

SCHEMBL2568067

CCOc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.37
LIPE Q05469 4/20 0.37
MAPT P10636 1/20 0.36
LCAT P04180 1/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 3/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
SLC5A1 P13866 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 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
SCHEMBL2564954 0.94 FADS1 (0.37) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2563240 0.92 ALDH1A1 (0.38) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2567951 0.92 ALDH1A1 (0.42) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2561257 0.92 MAPT (0.35) MAPTLCATTSHRMAPK1MEN1
SCHEMBL14956739 0.91 FADS1 (0.37) FADS1LIPEMAPTLCATTSHR
SCHEMBL2566186 0.91 LIPE (0.40) FADS1LIPEMAPTLCATTSHR
SCHEMBL2561951 0.89 LIPE (0.40) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2564033 0.89 FADS1 (0.35) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2564400 0.89 FADS1 (0.35) FADS1LIPEPIK3CDPIK3CBPIK3CG
SCHEMBL2564084 0.89 FADS1 (0.35) FADS1LIPEPIK3CDPIK3CBPIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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 (1 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885LIPE 1326/4885MAPT 2366/4885

“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.