SCHEMBL20336331

SCHEMBL20336331

FC(F)(F)C1(c2ccc(Oc3ccc4cc(Oc5ccc(C6(C(F)(F)F)N=N6)cc5)ccc4c3)cc2)N=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
PDK2 Q15119 1/20 0.36
GABRA1 P14867 3/20 0.34
GABRB3 P28472 2/20 0.34
GABRG2 P18507 1/20 0.34
THRB P10828 1/20 0.34
ABL1 P00519 2/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
DUSP3 P51452 1/20 0.31
RAB9A P51151 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL20336334 0.97 KIF11 (0.37) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL17625256 0.89 KIF11 (0.33) KIF11PDK2DUSP3
SCHEMBL17629727 0.89 KIF11 (0.41) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL17642439 0.88 KIF11 (0.33) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL20348933 0.88 RAB9A (0.34) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL17629730 0.85 ALDH1A1 (0.36) KIF11PDK2THRBSCN7AKCNH2
SCHEMBL17625261 0.80 KIF11 (0.35) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL20348937 0.80 KIF11 (0.35) KIF11PDK2GABRA1GABRB3GABRG2
SCHEMBL20336340 0.79 HTT (0.45) THRBLMNASCN7AKCNH2SCN9A
SCHEMBL20355879 0.78 ALDH1A1 (0.32) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 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-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX KIF11 2025/4885PDK2 1617/4885GABRA1 1150/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX KIF11 2025/4885PDK2 1617/4885GABRA1 1150/4885

“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.