SCHEMBL3071311

SCHEMBL3071311

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ RECQL P46063 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ SGMS2 Q8NHU3 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL5369320 0.74 ALDH1A1 (0.57) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL3061010 0.73 SMN1; SMN2 (0.45) ALDH1A1TDP1RECQLNPC1RAB9A
SCHEMBL2496089 0.72 TDP1 (0.67) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL11497260 0.71 HPGD (0.62) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL15569708 0.71 KMT2A (0.49) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL15569710 0.71 KMT2A (0.49) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL2417192 0.71 ALDH1A1 (0.41) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL28184964 0.71 NPC1 (0.54) ALDH1A1TDP1HPGDRECQLNPC1
SCHEMBL3058505 0.69 ADRA2A (0.53) —
SCHEMBL2416690 0.69 ALDH1A1 (0.40) ALDH1A1TDP1HPGDRECQLNPC1

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 1322/4885TDP1 2377/4885HPGD 1048/4885

“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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