SCHEMBL3518192

SCHEMBL3518192

O=[N+]([O-])c1c(Br)c([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
CYP3A4 P08684 2/20 0.33
S100A4 P26447 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL9776010 0.80 TSHR (0.35) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL30673517 0.80 SMN1; SMN2 (0.46) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL18510270 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CYP1A2GRIN2D
SCHEMBL9227471 0.80 ALDH1A1 (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28702870 0.80 S100A4 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28683122 0.78 S100A4 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Ammonia Solution, Strong SCHEMBL28932267 0.78 S100A4 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28699579 0.78 S100A4 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30589389 0.78 S100A4 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Potassium SCHEMBL30589383 0.78 S100A4 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079677-B Insoluble energetic organic polymer coated micro-nano particle and preparation method thereof 西北大学 2021-08-13 CN claimed
CN-112079677-A Insoluble energetic organic polymer coated micro-nano particle and preparation method thereof 西北大学 2020-12-15 CN claimed
CN-112079677-B Insoluble energetic organic polymer coated micro-nano particle and preparation method thereof 西北大学 2021-08-13 CN disclosed
CN-112079677-A Insoluble energetic organic polymer coated micro-nano particle and preparation method thereof 西北大学 2020-12-15 CN disclosed
US-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARM Y (US) 2017-02-16 US disclosed
US-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARM Y (US) 2017-02-16 US disclosed
US-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARM Y (US) 2017-02-16 US disclosed
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 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-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS BRI3BP, CCNI, FLI1 ALDH1A1 965/4885TSHR 628/4885TDP1 2784/4885

“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.