SCHEMBL5194129

SCHEMBL5194129

O=[N+]([O-])/N=C1\N(CCCCCN2CCN(Cc3ccc(Cl)nc3)/C2=N/[N+](=O)[O-])CCN1Cc1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CASP6 P55212 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNA1 P02708 3/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA3 P32297 2/20 0.47

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
SCHEMBL5196733 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5194078 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5196908 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
Heptamethylene 1,7-Bis-Imadacloprid SCHEMBL5194681 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
Hexamethylene 1,6-Bis-Imadacloprid SCHEMBL5193995 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5196754 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5196921 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
Heptamethylene 1,7-Bis-Imadacloprid SCHEMBL5194666 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL5194146 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
Hexamethylene 1,6-Bis-Imadacloprid SCHEMBL5193978 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348705-B1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same PRESIDENT OF GIFU UNIVERSITY (JP) 2007-03-21 EP disclosed
US-6875778-B2 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same GIFU UNIVERSITY 2005-04-05 US disclosed
US-20030220305-A1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same GIFU UNIVERSITY 2003-11-27 US disclosed
EP-1348705-A2 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same President of Gifu University (JP) 2003-10-01 EP 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-20030220305-A1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same KCNH1, KCNH3, KCNH2 ALDH1A1 1406/4885CYP3A4 116/4885CYP2D6 591/4885

“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.