SCHEMBL6630933

SCHEMBL6630933

Nn1c(C(F)(F)F)cc(=O)n(-c2cc3[nH]c(=O)sc3cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
CMA1 P23946 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MKNK1 Q9BUB5 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
SCHEMBL6627585 0.80 CMA1 (0.40) KIF11CMA1
SCHEMBL6627615 0.77 BCAT1 (0.48) SMN1; SMN2
SCHEMBL7670892 0.75 AR (0.31)
SCHEMBL9476930 0.75 CMA1 (0.35) CMA1MEN1LMNATP53MAPT
SCHEMBL9479017 0.72 CMA1 (0.33) CMA1MEN1LMNATP53MAPT
SCHEMBL22520003 0.72 BCAT2 (0.30)
SCHEMBL9030993 0.71 KARS1 (0.30)
SCHEMBL8927953 0.71 BCAT2 (0.40)
SCHEMBL9522971 0.70 SLC22A12 (0.34) KMT2A
SCHEMBL7756617 0.68

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 KIF11 3936/4885CMA1 2983/4885MEN1 3025/4885

“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.