SCHEMBL234983

SCHEMBL234983

O=[N+]([O-])N=C1NCCN1Cc1cnc(Br)s1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNA1 P02708 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
Imidaclothiz SCHEMBL238122 0.88 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
Imidaclothiz SCHEMBL676082 0.88 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237765 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237015 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069331 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069332 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069000 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7982213 0.81 CHRNB2 (0.48) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9068969 0.80 CHRNB2 (0.43) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7981821 0.78 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP3A4ALDH1A1

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 10/4885SMN1; SMN2 626/4885

“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.