SCHEMBL3065600

SCHEMBL3065600

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 18/20 0.48
▸ ADRA2C P18825 18/20 0.48
▸ ADRA2A P08913 17/20 0.48
▸ HTR1A P08908 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL3058505 0.86 ADRA2A (0.53) ADRA2BADRA2CADRA2AHTR1AKCNH2
SCHEMBL545845 0.75 NISCH (0.50) ADRA2BADRA2CADRA2AHTR1AKCNH2
SCHEMBL10981645 0.74 ADRA2A (0.54) ADRA2BADRA2CADRA2AHTR1ANISCH
SCHEMBL3060887 0.73 ADRA2A (0.53) ADRA2BADRA2CADRA2AHTR1ANISCH
SCHEMBL10976651 0.72 ADRA2A (0.52) ADRA2BADRA2CADRA2ANISCH
SCHEMBL3717495 0.71 ADRA2B (0.57) ADRA2BADRA2CADRA2AHTR1AKCNH2
Hydrochloric Acid SCHEMBL9654752 0.69 ADRA2A (0.45) ADRA2BADRA2CADRA2AHTR1AKCNH2
SCHEMBL3065639 0.69 ALDH1A1 (0.42) —
SCHEMBL11375241 0.69 ADRA2A (0.55) ADRA2BADRA2CADRA2AHTR1AKCNH2
SCHEMBL3961615 0.68 NISCH (0.52) ADRA2BADRA2CADRA2AHTR1AKCNH2

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 ADRA2B 884/4885ADRA2C 437/4885ADRA2A 1472/4885

“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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