SCHEMBL2561992

SCHEMBL2561992

N#CCSc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
FADS1 O60427 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.34
TP53 P04637 3/20 0.34
HTT P42858 2/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.33
MGAT2 Q10469 1/20 0.33
KCNH2 Q12809 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL3005753 0.89 FADS1 (0.38) ALDH1A1TSHRSMN1; SMN2FADS1MEN1
SCHEMBL13266475 0.89 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2566730 0.89 FADS1 (0.42) ALDH1A1TSHRFADS1MEN1KMT2A
SCHEMBL2561188 0.88 FADS1 (0.42) ALDH1A1TSHRFADS1MEN1KMT2A
SCHEMBL2565032 0.88 TSHR (0.45) ALDH1A1TSHRFADS1MEN1KMT2A
SCHEMBL2563697 0.86 TSHR (0.46) ALDH1A1TSHRFADS1MEN1KMT2A
SCHEMBL2997555 0.86 FADS1 (0.46) ALDH1A1TSHRFADS1MEN1KMT2A
SCHEMBL2561305 0.85 MEN1 (0.42) ALDH1A1TSHRSMN1; SMN2FADS1MEN1
SCHEMBL2566985 0.85 FADS1 (0.42) ALDH1A1TSHRFADS1KMT2ANPSR1
SCHEMBL2558405 0.85 FADS1 (0.40) ALDH1A1TSHRFADS1KMT2AHTT

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 ALDH1A1 875/4885TSHR 4543/4885SMN1; SMN2 4664/4885

“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.