SCHEMBL17625664

SCHEMBL17625664

FC(F)(F)C1(c2ccc(Oc3ccc4cc(Oc5ccc(C6(C(F)(F)F)NN6)cc5)ccc4c3)cc2)NN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
PDK2 Q15119 1/20 0.36
HAO1 Q9UJM8 1/20 0.33
GAA P10253 1/20 0.33
RCE1 Q9Y256 1/20 0.33
SCN7A Q01118 2/20 0.32
KCNH2 Q12809 2/20 0.32
SCN9A Q15858 2/20 0.32
THRB P10828 1/20 0.31
ENPP3 O14638 1/20 0.31
ALPL P05186 1/20 0.31
ENPP1 P22413 1/20 0.31
XIAP P98170 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 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
SCHEMBL17625669 0.98 MAOA (0.38) MAOAMAOBPDK2HAO1GAA
SCHEMBL17625635 0.89 ST14 (0.35) PDK2GAARAB9AKMT2AMEN1
SCHEMBL17642439 0.88 KIF11 (0.33) MAOAMAOBPDK2HAO1RAB9A
SCHEMBL20355847 0.85 TSHR (0.36) MAOAMAOB
SCHEMBL17625665 0.84 ALDH1A1 (0.35) PDK2SCN7AKCNH2SCN9ATHRB
SCHEMBL20355879 0.78 ALDH1A1 (0.32) SCN9A
SCHEMBL17625667 0.78 HTT (0.44) PDK2HAO1SCN7AKCNH2SCN9A
SCHEMBL20336334 0.76 KIF11 (0.37) MAOAMAOBPDK2HAO1GAA
SCHEMBL20336331 0.75 KIF11 (0.39) MAOAMAOBPDK2SCN7AKCNH2
SCHEMBL20355878 0.74 TSHR (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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 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 (3 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 MAOA 232/4885MAOB 587/4885PDK2 491/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX MAOA 139/4885MAOB 373/4885PDK2 1617/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX MAOA 139/4885MAOB 373/4885PDK2 1617/4885

“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.