SCHEMBL5622957

SCHEMBL5622957

CN(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.87
NOX1 Q9Y5S8 1/20 0.76
MAPK11 Q15759 14/20 0.66
MAPK14 Q16539 14/20 0.66
MAPK13 O15264 13/20 0.66
GCGR P47871 13/20 0.66
MAPK12 P53778 13/20 0.66
CSNK1A1 P48729 5/20 0.66
CSNK1D P48730 5/20 0.66
PRKD3 O94806 4/20 0.66
MAP4K4 O95819 4/20 0.66
FRK P42685 4/20 0.66
MAPK9 P45984 4/20 0.66
GSK3B P49841 4/20 0.66
CLK4 Q9HAZ1 3/20 0.66
PTK6 Q13882 3/20 0.66
PRKD2 Q9BZL6 3/20 0.66
TCF4 P15884 1/20 0.59
CTNNB1 P35222 1/20 0.59
PRKACA P17612 3/20 0.58

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
SCHEMBL4551864 0.93 ALOX5 (1.00) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL1071183 0.86 NOX1 (1.00) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL8032578 0.85 NOX1 (0.76) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL6468252 0.85 NOX1 (0.76) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL9436010 0.84 ALOX5 (0.64) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL6467424 0.82 NOX1 (0.72) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL3371979 0.82 MAPK14 (0.74) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL1629037 0.81 MAPK13 (0.85) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL16292225 0.81 MAPK13 (0.85) ALOX5NOX1MAPK11MAPK14MAPK13
SCHEMBL69095 0.81 ALOX5 (0.78) ALOX5MAPK11MAPK14MAPK13GCGR

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-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound MANAC INC. (JP) 2007-05-17 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-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound HSPE1, MCL1, HMOX1 ALOX5 378/4885NOX1 45/4885MAPK11 714/4885

“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.