SCHEMBL3329199

SCHEMBL3329199

COC(=O)c1nc(-c2ccc(CF)c(OC)c2F)cc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 8/20 0.38
CD274 Q9NZQ7 8/20 0.38
S1PR4 O95977 1/20 0.34
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
RCE1 Q9Y256 1/20 0.33
MEP1B Q16820 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 1/20 0.32
ALPL P05186 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL3842800 0.90 PDCD1LG2 (0.36) PDCD1LG2CD274MEP1BALOX5APFEN1
SCHEMBL29423657 0.87 KDM4E (0.40) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL3329129 0.87 ABL1 (0.37) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL115368 0.87 KDM4E (0.40) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL29442558 0.87 KDM4E (0.40) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL3327356 0.86 NQO2 (0.35) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL3328865 0.85 ALOX5AP (0.46) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL3328556 0.84 KDM4E (0.38) S1PR4NQO2KDM4EPKMRCE1
SCHEMBL16047078 0.84 KDM4E (0.39) NQO2KDM4EPKMRCE1ALDH1A1
SCHEMBL2467010 0.83 CD274 (0.41) PDCD1LG2CD274MEP1B

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 PDCD1LG2 2223/4885CD274 3162/4885S1PR4 4235/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 PDCD1LG2 2223/4885CD274 3162/4885S1PR4 4235/4885

“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.