SCHEMBL2067894

SCHEMBL2067894

NCCN1CCN/C1=C\[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CHRNA1 P02708 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL2067896 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL28058050 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL11707997 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL11812000 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL9239091 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL9239093 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL11810271 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL11709538 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7999137 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7999133 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1

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-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 US disclosed
EP-1689231-A4 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-11-14 EP disclosed
EP-1689231-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2006-08-16 EP disclosed
WO-2005055715-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2005-06-23 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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE SMN1; SMN2 2602/4885CHRNA1 932/4885CHRNA3 484/4885

“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.