SCHEMBL3330686

SCHEMBL3330686

COC(=O)c1nc(-c2c(F)cc(Cl)c(OC)c2F)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 6/20 0.34
PKM P14618 2/20 0.34
RCE1 Q9Y256 1/20 0.34
ALDH1A1 P00352 5/20 0.34
ALPL P05186 1/20 0.33
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABL1 P00519 1/20 0.32
ACLY P53396 1/20 0.31
POLB P06746 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
SCHEMBL3329255 0.92 NQO2 (0.38) NQO2GAAKDM4EPKMRCE1
SCHEMBL3333516 0.92 NQO2 (0.36) NQO2GAAKDM4EPKMRCE1
SCHEMBL16096911 0.91 NQO2 (0.37) NQO2GAAKDM4EPKMRCE1
SCHEMBL3330703 0.90 NQO2 (0.34) NQO2GAAKDM4EPKMRCE1
SCHEMBL2471011 0.90 TPMT (0.35) NQO2GAAKDM4EALDH1A1PTGS2
SCHEMBL3328434 0.89 LMNA (0.36) NQO2GAAKDM4EPKMRCE1
SCHEMBL3329411 0.89 NQO2 (0.34) NQO2GAAKDM4EPKMRCE1
SCHEMBL3329287 0.87 NQO2 (0.38) NQO2GAAKDM4EPKMRCE1
SCHEMBL3333426 0.86 KHK (0.36) NQO2GAAKDM4EALDH1A1MAPT
SCHEMBL3327668 0.86 NQO2 (0.36) NQO2GAAKDM4EPKMRCE1

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-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 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 (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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 NQO2 117/4885GAA 487/4885KDM4E 4579/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 NQO2 117/4885GAA 487/4885KDM4E 4579/4885

“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.