SCHEMBL3058505

SCHEMBL3058505

CCC(Oc1cccc([N+](=O)[O-])c1Cl)C1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 18/20 0.53
▸ ADRA2B P18089 18/20 0.53
▸ ADRA2C P18825 18/20 0.53
▸ HTR1A P08908 3/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NISCH Q9Y2I1 3/20 0.39

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 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL3065600 0.86 ADRA2B (0.48) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL11375241 0.83 ADRA2A (0.55) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3961615 0.82 NISCH (0.52) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3667267 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3661926 0.78 ADRA2B (0.47) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3665555 0.78 ADRA2B (0.56) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL3060887 0.77 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL11370259 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL10976651 0.77 ADRA2A (0.52) ADRA2AADRA2BADRA2CNISCH

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 5 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
EP-2217066-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES Syngenta Participations AG (CH) 2010-08-18 — — EP disclosed
WO-2009060173-A1 NITROSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-14 — — WO 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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