SCHEMBL17756264

SCHEMBL17756264

CCOC(=O)c1cn(CCC(C)(C)C)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GRM2 Q14416 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.40
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TEAD2 Q15562 1/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 1/20 0.39
KLK7 P49862 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JUN P05412 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
FOS P01100 1/20 0.38
DGAT1 O75907 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2087062 0.88 KDM4E (0.48) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL2089325 0.85 KDM4E (0.50) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL21408417 0.85 GAA (0.46) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL21281714 0.85 KDM4E (0.45) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL3979049 0.84 KDM4E (0.49) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL21408591 0.83 GRM2 (0.48) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL3977048 0.83 KDM4E (0.48) KDM4EGRM2GAAALDH1A1IDO1
SCHEMBL17756261 0.82 GAA (0.39) GAAALDH1A1DGAT1
SCHEMBL965934 0.82 GAA (0.60) KDM4EGAAALDH1A1IDO1NPSR1
SCHEMBL1197727 0.82 KDM4E (0.47) KDM4EGRM2GAAALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 KDM4E 3804/4885GRM2 3235/4885GAA 1153/4885

“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.