SCHEMBL21708142

SCHEMBL21708142

O=C1/C(=C2\Nc3cc(C(F)(F)F)ccc3C2=O)Nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.46
CYBB P04839 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
JUN P05412 4/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
ACE2 Q9BYF1 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CES1 P23141 1/20 0.38
KIF11 P52732 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL28878753 0.85 CES1 (0.55) TDP2JUNNFKB1NFKB2RELA
SCHEMBL4679100 0.85 CES1 (0.55) TDP2JUNNFKB1NFKB2RELA
Toluene SCHEMBL28094131 0.75 MAOA (0.51) TDP2CYBBNOX3NOX4NOX1
SCHEMBL8874237 0.75 GALR3 (0.44) TDP2CYBBNOX3NOX4NOX1
SCHEMBL8874232 0.75 GALR3 (0.44) TDP2CYBBNOX3NOX4NOX1
SCHEMBL8874577 0.75 TDP2 (0.44) TDP2JUNNFKB1NFKB2RELA
SCHEMBL8874574 0.75 TDP2 (0.44) TDP2JUNNFKB1NFKB2RELA
SCHEMBL21708140 0.75 TGM2 (0.46) CES1TGM2
SCHEMBL25424253 0.74 TDP2 (0.58) TDP2KIF11MEN1KMT2A
SCHEMBL22748875 0.74 ACVR1 (0.56) TDP2CYBBNOX3NOX4NOX1

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-11114668-B2 Electrode materials and processes for their preparation HYDRO-QUéBEC (CA) 2021-09-07 US disclosed
US-20200052302-A1 ELECTRODE MATERIALS AND PROCESSES FOR THEIR PREPARATION HYDRO-QUéBEC (CA) 2020-02-13 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 (2 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-20200052302-A1 ELECTRODE MATERIALS AND PROCESSES FOR THEIR PREPARATION ALPL, EPCAM, MB TDP2 1774/4885CYBB 294/4885NOX3 1827/4885
US-11114668-B2 Electrode materials and processes for their preparation ALPL, EPCAM, MB TDP2 1774/4885CYBB 294/4885NOX3 1827/4885

“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.