SCHEMBL1936058

SCHEMBL1936058

NC(=NO)c1cc(OCc2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
LNPEP Q9UIQ6 1/20 0.47
MAOA P21397 1/20 0.45
F2 P00734 1/20 0.44
IDO1 P14902 2/20 0.43
SPHK2 Q9NRA0 4/20 0.42
SPHK1 Q9NYA1 4/20 0.42
GRIN2B Q13224 1/20 0.40
NR3C2 P08235 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
PLK1 P53350 2/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
KDR P35968 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
STK3 Q13188 1/20 0.38
CAMK2B Q13554 1/20 0.38

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
SCHEMBL12439741 1.00 MAOB (0.51) MAOBLNPEPMAOAF2IDO1
SCHEMBL12439738 0.81 RAF1 (0.40) MAOAMAP4K4CSF1RKDRLIMK1
SCHEMBL1935338 0.81 RAF1 (0.40) MAOAMAP4K4CSF1RKDRLIMK1
SCHEMBL13028341 0.79 MAPT (0.40)
SCHEMBL2335940 0.79 MAPT (0.40)
SCHEMBL12439746 0.75 SCN9A (0.48) CLK4
SCHEMBL13028344 0.75 SCN9A (0.35)
SCHEMBL2334177 0.75 SCN9A (0.35)
SCHEMBL1934839 0.75 SCN9A (0.48) CLK4
SCHEMBL1935748 0.73 MAOB (0.51) MAOBLNPEPMAOAF2IDO1

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
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 MAOB 777/4885LNPEP 2655/4885MAOA 792/4885

“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.