SCHEMBL13266554

SCHEMBL13266554

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.36
KCNH2 Q12809 11/20 0.36
FADS1 O60427 1/20 0.34
CYP1B1 Q16678 1/20 0.33
PARP1 P09874 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LIPE Q05469 2/20 0.31
ADRA1A P35348 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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 0.94 FADS1 (0.37) HRH3KCNH2FADS1PDE10ALIPE
SCHEMBL2564400 0.89 FADS1 (0.35) HRH3KCNH2FADS1PDE10ALIPE
SCHEMBL2564033 0.89 FADS1 (0.35) HRH3KCNH2FADS1LIPEPIK3CD
SCHEMBL2564084 0.89 FADS1 (0.35) HRH3KCNH2FADS1PDE10ALIPE
SCHEMBL2563240 0.88 ALDH1A1 (0.38) HRH3KCNH2FADS1LIPEPIK3CD
SCHEMBL2567951 0.88 ALDH1A1 (0.42) HRH3KCNH2FADS1LIPEPIK3CD
SCHEMBL2995196 0.88 FADS1 (0.33) HRH3KCNH2FADS1LIPEPIK3CD
SCHEMBL2568067 0.88 FADS1 (0.37) HRH3KCNH2FADS1LIPEPIK3CD
SCHEMBL13266553 0.88 MAPT (0.38) HRH3KCNH2CYP1B1PDE10A
SCHEMBL2566961 0.86 HPGD (0.36) HRH3KCNH2FADS1LIPE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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

“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.