SCHEMBL2564033

SCHEMBL2564033

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.35
KCNH2 Q12809 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
LIPE Q05469 9/20 0.32
SLC5A1 P13866 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
UGCG Q16739 1/20 0.32
CNR1 P21554 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
SCHEMBL2564954 0.93 FADS1 (0.37) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL2567951 0.91 ALDH1A1 (0.42) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL2563240 0.91 ALDH1A1 (0.38) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL2566961 0.89 HPGD (0.36) FADS1KCNH2HRH3LIPE
SCHEMBL2568067 0.89 FADS1 (0.37) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL13266554 0.89 HRH3 (0.36) FADS1KCNH2HRH3LIPEPIK3CD
SCHEMBL2564084 0.88 FADS1 (0.35) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL2564400 0.88 FADS1 (0.35) FADS1KCNH2HRH3LIPESLC5A1
SCHEMBL2566186 0.88 LIPE (0.40) FADS1KCNH2HRH3LIPEALDH1A1
SCHEMBL2565212 0.87 FADS1 (0.35) FADS1KCNH2HRH3LIPESLC5A1

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 FADS1 140/4885KCNH2 2927/4885HRH3 2242/4885

“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.