SCHEMBL2562436

SCHEMBL2562436

CC(C)(C)Sc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.40
UGCG Q16739 1/20 0.35
KCNH2 Q12809 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 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
GAA P10253 1/20 0.33
LIPE Q05469 9/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2561305 0.90 MEN1 (0.42) FADS1UGCGKCNH2HRH3TSHR
SCHEMBL2561188 0.89 FADS1 (0.42) FADS1UGCGKCNH2HRH3TSHR
SCHEMBL2565032 0.88 TSHR (0.45) FADS1UGCGTSHRALDH1A1MEN1
SCHEMBL2565139 0.87 ALDH1A1 (0.45) FADS1UGCGKCNH2HRH3TSHR
SCHEMBL2566730 0.87 FADS1 (0.42) FADS1UGCGKCNH2HRH3TSHR
SCHEMBL2565942 0.87 FADS1 (0.43) FADS1UGCGTSHRALDH1A1MEN1
SCHEMBL2563697 0.87 TSHR (0.46) FADS1TSHRALDH1A1MEN1POLB
SCHEMBL2566863 0.86 FADS1 (0.40) FADS1KCNH2HRH3TSHRALDH1A1
SCHEMBL2566985 0.86 FADS1 (0.42) FADS1KCNH2HRH3TSHRALDH1A1
SCHEMBL2570575 0.85 MGAT2 (0.40) FADS1LIPE

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 6 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
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 140/4885UGCG 1283/4885KCNH2 2927/4885

“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.