SCHEMBL118741

SCHEMBL118741

C=Cc1c(NCc2ccco2)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.39
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE5A O76074 1/20 0.37
PKM P14618 1/20 0.36
AQP1 P29972 1/20 0.36

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
SCHEMBL13076207 0.94 KDM4E (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2683142 0.93 KMT2A (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10087236 0.92 MAPT (0.36) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2682660 0.91 MAPT (0.36) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2683873 0.91 ALDH1A1 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10087223 0.90 ALDH1A1 (0.37) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1610274 0.89 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2140353 0.86 APP (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10087224 0.85 SMN1; SMN2 (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1609507 0.84 MAPT (0.44) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 MAPT 2800/4885KDM4E 2613/4885MEN1 3860/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG MAPT 1617/4885KDM4E 2202/4885MEN1 4635/4885

“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.