SCHEMBL6617682

SCHEMBL6617682

Nn1c(C(F)(F)F)cc(=O)n(-c2cc3c(cc2F)OCC(=O)N3)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.39
TP53 P04637 2/20 0.36
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
MMP12 P39900 1/20 0.34
KMT2A Q03164 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7563867 0.87 NR3C2 (0.39) NR3C2TP53KIF11POLBNR3C1
SCHEMBL6625675 0.81 KMT2A (0.50) NR3C2NR3C1RAF1BRAFMMP12
SCHEMBL9727556 0.78 BCAT1 (0.45) NR3C2TP53KIF11POLBNR3C1
SCHEMBL7556723 0.76 MMP12 (0.46) NR3C2TP53NR3C1PGRMAPT
SCHEMBL10491107 0.75 MAPT (0.46) NR3C2TP53MAPTTHRBMMP12
SCHEMBL9427952 0.74 CHRM1 (0.40) TP53MAPT
SCHEMBL9032890 0.74 CHRM1 (0.32)
SCHEMBL7964385 0.73 NR3C2 (0.43) NR3C2NR3C1
SCHEMBL9480245 0.73 MMP12 (0.43) NR3C2TP53PGRMAPTTHRB
SCHEMBL7670892 0.72 AR (0.31)

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-20040186021-A1 Substituted benzo-nitro-heterocycles BAYER CROPSCIENCE AG (DE) 2004-09-23 US disclosed
EP-1409484-A1 SUBSTITUTED BENZO-NITRO-HETEROCYCLES Bayer CropScience AG (DE) 2004-04-21 EP disclosed
WO-2003006461-A1 SUBSTITUTED BENZO-NITRO-HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2003-01-23 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-20040186021-A1 Substituted benzo-nitro-heterocycles NQO1, CBR1, MT-ND1 NR3C2 1344/4885TP53 2553/4885KIF11 3936/4885

“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.