SCHEMBL2103635

SCHEMBL2103635

O=[N+]([O-])c1ccc(-c2c(Br)[c]c(Br)cc2[S+]([O-])C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
PSD A5PKW4 3/20 0.32
GYS1 P13807 1/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
XDH P47989 2/20 0.31
MAPT P10636 2/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
TAAR1 Q96RJ0 2/20 0.30
SCN2A Q99250 1/20 0.30
PTGS2 P35354 1/20 0.30
RAD51 Q06609 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
SCHEMBL2106738 0.88 JAK2 (0.36) ALDH1A1MMP13MAPTMGAMGAA
SCHEMBL2105668 0.84
SCHEMBL2106103 0.83
SCHEMBL2104571 0.83
SCHEMBL2102974 0.80 ALDH1A1 (0.33) ALDH1A1MAPTMGAMGAASI
SCHEMBL2106661 0.79 AHR (0.30)
SCHEMBL15324478 0.77
SCHEMBL2104980 0.77
SCHEMBL15323822 0.76
SCHEMBL2105666 0.76 PDE7A (0.33) ABCC8KCNJ11PSDGYS1PTGS1

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 ABCC8 2280/4885KCNJ11 2922/4885PSD 3751/4885

“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.