SCHEMBL2106738

SCHEMBL2106738

O=[N+]([O-])c1cccc(-c2c(Br)[c]c(Br)cc2[S+]([O-])C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
PKM P14618 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP13 P45452 1/20 0.34
IDO1 P14902 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
LMNA P02545 3/20 0.33

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
SCHEMBL2103635 0.88 ABCC8 (0.32) MGAMGAASIMGAM2NPC1
SCHEMBL2104980 0.83
SCHEMBL2105413 0.80 ENPP1 (0.36) IDO1
SCHEMBL2102974 0.80 ALDH1A1 (0.33) MGAMGAASIMGAM2NPC1
SCHEMBL2103269 0.77 MAPT (0.35) JAK2TYK2MGAMGAASI
SCHEMBL2105660 0.77
SCHEMBL2105993 0.77 PTGS2 (0.34) JAK2TYK2MGAMGAASI
SCHEMBL2106661 0.77 AHR (0.30)
SCHEMBL2106103 0.76
SCHEMBL2104571 0.76

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 JAK2 4648/4885TYK2 3944/4885MGAM 1308/4885

“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.