SCHEMBL237687

SCHEMBL237687

O=[N+]([O-])N=C1NCCN1Cc1ccc(I)nc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA1 P02708 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP6 P55212 1/20 0.35
POLB P06746 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL14354911 0.86 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL22278 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL182289 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7981821 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL237959 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7992689 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL238913 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7993933 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL29436142 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL237917 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225940-B1 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION GMBH (AT) 2014-03-12 EP disclosed
US-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 CHRNB2 21/4885CHRNA4 10/4885ALDH1A1 2884/4885

“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.