SCHEMBL126201

SCHEMBL126201

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
ELANE P08246 1/20 0.36
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL124303 0.74 MGLL (0.43) MGLLELANEHCRTR1HCRTR2CYP2C9
SCHEMBL13312285 0.73 MGLL (0.44) MGLLELANEHCRTR1HCRTR2POLB
SCHEMBL3433408 0.73 MGLL (0.43) MGLLELANEHCRTR1HCRTR2CYP2C9
SCHEMBL125418 0.72 KDM4E (0.47) MGLLCYP2C9
SCHEMBL30440154 0.71 MGLL (0.40) MGLLHCRTR1HCRTR2
SCHEMBL2192041 0.71 MGLL (0.40) MGLLHCRTR1HCRTR2
SCHEMBL5717652 0.71 PARP1 (0.46) MGLL
SCHEMBL123859 0.71 MGLL (0.42) MGLLHCRTR1HCRTR2CYP2C19
SCHEMBL5163749 0.70 LMNA (0.40)
SCHEMBL973413 0.70 ALOX15 (0.45) MGLL

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 3695/4885HCRTR1 325/4885

“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.