SCHEMBL3060887

SCHEMBL3060887

COCC(Oc1cccc([N+](=O)[O-])c1C)C1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 17/20 0.53
▸ ADRA2B P18089 17/20 0.53
▸ ADRA2C P18825 17/20 0.53
▸ NISCH Q9Y2I1 3/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTR1A P08908 2/20 0.37

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
SCHEMBL10981645 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CNISCHTDP1
SCHEMBL10976651 0.86 ADRA2A (0.52) ADRA2AADRA2BADRA2CNISCH
SCHEMBL3058505 0.77 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL546178 0.77 NISCH (0.50) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL27797929 0.75 NISCH (0.59) ADRA2AADRA2BADRA2CNISCHHTR1A
Hydrochloric Acid SCHEMBL3071166 0.74 NISCH (0.57) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL3065600 0.73 ADRA2B (0.48) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL11224297 0.71 NISCH (0.54) ADRA2AADRA2BADRA2CNISCHHTR1A
Hydrochloric Acid SCHEMBL9655739 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CNISCHMEN1
SCHEMBL3061010 0.70 SMN1; SMN2 (0.45) MEN1MAPK1KMT2AL3MBTL1TDP1

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-20100267795-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-21 — — US disclosed
US-20100267795-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-21 — — US disclosed
WO-2009060173-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-14 — — 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-20100267795-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES NISCH, DDT, CBR3 ADRA2A 1472/4885ADRA2B 884/4885ADRA2C 437/4885

“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.

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