SCHEMBL2566186

SCHEMBL2566186

CCOCCCOc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.40
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 3/20 0.35
FADS1 O60427 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LCAT P04180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CD O00329 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
SCHEMBL2567951 0.93 ALDH1A1 (0.42) LIPEALDH1A1LMNANPY1RNPY2R
SCHEMBL2563240 0.91 ALDH1A1 (0.38) LIPEALDH1A1LMNANPY1RNPY2R
SCHEMBL2568067 0.91 FADS1 (0.37) LIPEALDH1A1LMNAHRH3KCNH2
SCHEMBL2564954 0.88 FADS1 (0.37) LIPEL3MBTL1HRH3KCNH2FADS1
SCHEMBL2564033 0.88 FADS1 (0.35) LIPEALDH1A1LMNANPY1RNPY2R
SCHEMBL2566961 0.87 HPGD (0.36) LIPEHRH3KCNH2FADS1HPGD
SCHEMBL2566412 0.86 FADS1 (0.43) LIPEALDH1A1LMNAHRH3KCNH2
SCHEMBL13266554 0.85 HRH3 (0.36) LIPEHRH3KCNH2FADS1PIK3CD
SCHEMBL2567198 0.84 LIPE (0.35) LIPEFADS1
SCHEMBL2561951 0.84 LIPE (0.40) LIPEHRH3KCNH2FADS1PIK3CD

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 LIPE 1326/4885ALDH1A1 875/4885LMNA 4027/4885

“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.