SCHEMBL2106609

SCHEMBL2106609

Cc1[c]c(C)c(-c2ccccc2[N+](=O)[O-])c(SC(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 3/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 1/20 0.32
S100A4 P26447 2/20 0.32
PTPRC P08575 1/20 0.32
HSD11B1 P28845 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
MEN1 O00255 1/20 0.31
ALPG P10696 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGAM O43451 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
SCHEMBL2107726 0.82 ESR1 (0.32)
SCHEMBL2105523 0.81 HSD11B1 (0.32) HSD11B1
SCHEMBL2105590 0.80
SCHEMBL2103267 0.80 ALDH1A1 (0.34) TDP1ALDH1A1HSD17B10LMNAMAPT
SCHEMBL2106091 0.80 ALDH1A1 (0.35) TDP1ALDH1A1HSD17B10LMNAMAPT
SCHEMBL2106073 0.77 AR (0.34) PDK2
SCHEMBL2105406 0.73
SCHEMBL2107100 0.73
SCHEMBL2105525 0.72 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL2105811 0.72 HSD11B1 (0.32) ALDH1A1HSD11B1SMN1; SMN2

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-8563736-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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 (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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 TDP1 363/4885ALDH1A1 406/4885HSD17B10 1642/4885

“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.