SCHEMBL3065639

SCHEMBL3065639

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ G6PD P11413 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL15569710 0.71 KMT2A (0.49) ALDH1A1POLBRAB9AHPGDTDP1
SCHEMBL15569708 0.71 KMT2A (0.49) ALDH1A1POLBRAB9AHPGDTDP1
SCHEMBL6891792 0.71 ALDH1A1 (0.62) ALDH1A1POLBRAB9AGAAHPGD
SCHEMBL12006023 0.71 RAB9A (0.46) ALDH1A1POLBRAB9AGAAHPGD
SCHEMBL2496089 0.70 TDP1 (0.67) ALDH1A1RAB9AHPGDKDM4EG6PD
SCHEMBL7329105 0.69 TSHR (0.44) ALDH1A1HPGDLMNAKMT2A
SCHEMBL3065600 0.69 ADRA2B (0.48) —
SCHEMBL10773281 0.69 ALDH1A1 (0.58) ALDH1A1POLBGAATDP1MAPT
SCHEMBL10774201 0.68 ALDH1A1 (0.42) ALDH1A1POLBRAB9AGAATDP1
SCHEMBL10677188 0.68 ALDH1A1 (0.48) ALDH1A1POLBRAB9AGAAHPGD

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 ALDH1A1 1322/4885POLB 4701/4885RAB9A 1339/4885

“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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