SCHEMBL2561473

SCHEMBL2561473

CCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
PDE7A Q13946 1/20 0.43
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PIK3CA P42336 1/20 0.40
TP53 P04637 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL2562601 0.92 FADS1 (0.51) FADS1TSHRGAAPDE7APIK3CD
SCHEMBL2567416 0.91 FADS1 (0.47) FADS1TSHRGAAPDE7APIK3CD
SCHEMBL2564833 0.90 FADS1 (0.46) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2567552 0.89 FADS1 (0.49) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2559985 0.88 FADS1 (0.51) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2565109 0.87 FADS1 (0.47) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2566441 0.87 FADS1 (0.47) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2562598 0.87 FADS1 (0.46) FADS1TSHRGAAPIK3CDPIK3CB
SCHEMBL2566139 0.87 FADS1 (0.51) FADS1TSHRGAAPDE7APIK3CD
SCHEMBL2566907 0.87 FADS1 (0.49) FADS1TSHRGAAPIK3CDPIK3CB

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 4 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

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 140/4885TSHR 4543/4885GAA 3631/4885

“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.