SCHEMBL124303

SCHEMBL124303

O=C(CC(=O)C1CC1)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
ELANE P08246 1/20 0.40
GSK3B P49841 2/20 0.37
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ACKR3 P25106 3/20 0.34
CNR2 P34972 5/20 0.34
HDAC6 Q9UBN7 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL8328384 0.81 HDAC6 (0.45) ELANEHCRTR1HCRTR2ACKR3HDAC6
SCHEMBL3433408 0.78 MGLL (0.43) MGLLELANEHCRTR1HCRTR2CNR2
SCHEMBL125418 0.77 KDM4E (0.47) MGLLHDAC6CYP3A4CYP2C9CYP1A2
SCHEMBL5717652 0.76 PARP1 (0.46) MGLLKDM4EMEN1LMNAKMT2A
SCHEMBL123859 0.76 MGLL (0.42) MGLLHCRTR1HCRTR2HDAC6EGLN1
SCHEMBL13312285 0.76 MGLL (0.44) MGLLELANEHCRTR1HCRTR2EGLN1
SCHEMBL973413 0.75 ALOX15 (0.45) MGLLKDM4EKMT2A
SCHEMBL11909549 0.75 LMNA (0.50) MGLLHDAC6EGLN1CYP3A4CYP2C9
SCHEMBL27855906 0.75 MGLL (0.40) MGLLELANEHCRTR1HCRTR2PDE4A
SCHEMBL126201 0.74 MGLL (0.41) MGLLELANEHCRTR1HCRTR2ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT MGLL 1724/4885ELANE 3695/4885GSK3B 1181/4885

“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.