SCHEMBL2564170

SCHEMBL2564170

N#CCCNC(=O)CSc1nc2[nH]ccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
POLB P06746 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 7/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CA P42336 1/20 0.38
PNP P00491 1/20 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
SCHEMBL13242291 0.91 FADS1 (0.49) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2569201 0.89 KDM4E (0.53) POLBKDM4ERXFP1ALDH1A1HTT
SCHEMBL2566712 0.84 FADS1 (0.42) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2997097 0.84 FADS1 (0.42) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2561999 0.83 FADS1 (0.42) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2988869 0.83 FADS1 (0.43) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2564047 0.81 FADS1 (0.49) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2995367 0.81 FADS1 (0.54) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL2560508 0.81 FADS1 (0.51) FADS1POLBKDM4ERXFP1ALDH1A1
SCHEMBL13266356 0.80 FADS1 (0.38) FADS1POLBKDM4ERXFP1ALDH1A1

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 FADS1 140/4885POLB 4165/4885KDM4E 2686/4885

“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.