SCHEMBL2567232

SCHEMBL2567232

O=C1Cc2c(nc(Oc3ccc(C(F)(F)F)cc3)n(-c3ccc(OCC(F)(F)F)cc3)c2=O)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
NPBWR1 P48145 3/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
FADS1 O60427 1/20 0.35
MCHR1 Q99705 1/20 0.35
LTA4H P09960 1/20 0.34
SCN9A Q15858 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CA P42336 1/20 0.33
LIPE Q05469 2/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2567218 0.92 UGCG (0.37) KCNH2HRH3FADS1SCN9APIK3CD
SCHEMBL2568408 0.91 SLC5A1 (0.36) KCNH2HRH3NPBWR1FADS1PIK3CD
SCHEMBL2561172 0.91 POLB (0.40) KCNH2HRH3NPBWR1FADS1MCHR1
SCHEMBL2564954 0.91 FADS1 (0.37) KCNH2HRH3FADS1PIK3CDPIK3CB
SCHEMBL13258416 0.88 NPBWR1 (0.36) KCNH2HRH3NPBWR1CCNB2CDK1
SCHEMBL2568067 0.87 FADS1 (0.37) KCNH2HRH3FADS1PIK3CDPIK3CB
SCHEMBL2564033 0.86 FADS1 (0.35) KCNH2HRH3FADS1PIK3CDPIK3CB
SCHEMBL2564400 0.86 FADS1 (0.35) KCNH2HRH3FADS1PIK3CDPIK3CB
SCHEMBL2564084 0.86 FADS1 (0.35) KCNH2HRH3FADS1PIK3CDPIK3CB
SCHEMBL2565212 0.85 FADS1 (0.35) KCNH2HRH3FADS1PIK3CDPIK3CB

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
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
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 KCNH2 2927/4885HRH3 2242/4885NPBWR1 1201/4885

“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.