SCHEMBL3329685

SCHEMBL3329685

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.34
KDM4E B2RXH2 2/20 0.32
PKM P14618 2/20 0.32
RCE1 Q9Y256 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
ALPL P05186 2/20 0.30
PIM2 Q9P1W9 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
SCHEMBL3330679 0.93 NQO2 (0.37) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3836694 0.86 TDP1 (0.36)
SCHEMBL9938995 0.85 NQO2 (0.38) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3333516 0.84 NQO2 (0.36) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3454758 0.83 PDCD1LG2 (0.31)
SCHEMBL20727045 0.83 NQO2 (0.36) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3329287 0.82 NQO2 (0.38) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL16075440 0.82 CFTR (0.36) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL9938891 0.81 ABL1 (0.40) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3330686 0.81 NQO2 (0.37) NQO2KDM4EPKMRCE1ALDH1A1

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 117/4885KDM4E 4579/4885PKM 3491/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 NQO2 117/4885KDM4E 4579/4885PKM 3491/4885

“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.