SCHEMBL2567951

SCHEMBL2567951

CCCCOc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LIPE Q05469 4/20 0.40
HRH3 Q9Y5N1 6/20 0.37
KCNH2 Q12809 5/20 0.37
FADS1 O60427 1/20 0.36
NPC1 O15118 1/20 0.35
METAP2 P50579 1/20 0.35
SLC5A1 P13866 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
UGCG Q16739 1/20 0.33

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
SCHEMBL2563240 0.96 ALDH1A1 (0.38) ALDH1A1LMNANPY1RNPY2RL3MBTL1
SCHEMBL2566186 0.93 LIPE (0.40) ALDH1A1LMNANPY1RNPY2RL3MBTL1
SCHEMBL2568067 0.92 FADS1 (0.37) ALDH1A1LMNALIPEHRH3KCNH2
SCHEMBL2564954 0.92 FADS1 (0.37) L3MBTL1LIPEHRH3KCNH2FADS1
SCHEMBL2564033 0.91 FADS1 (0.35) ALDH1A1LMNANPY1RNPY2RL3MBTL1
SCHEMBL2566961 0.89 HPGD (0.36) LIPEHRH3KCNH2FADS1
SCHEMBL2559981 0.89 ALDH1A1 (0.36) ALDH1A1LMNANPY1RNPY2RL3MBTL1
SCHEMBL13266554 0.88 HRH3 (0.36) LIPEHRH3KCNH2FADS1PIK3CD
SCHEMBL2561951 0.87 LIPE (0.40) LIPEHRH3KCNH2FADS1SLC5A1
SCHEMBL2564400 0.87 FADS1 (0.35) LIPEHRH3KCNH2FADS1SLC5A1

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 ALDH1A1 875/4885LMNA 4027/4885NPY1R 781/4885

“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.