SCHEMBL1747707

SCHEMBL1747707

O=[N+]([O-])C=C1NCCCC1c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.47
CHRNA7 P36544 5/20 0.47
CHRNA1 P02708 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 8/20 0.37
CHRNA4 P43681 8/20 0.37
CHRNB4 P30926 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
HPGD P15428 1/20 0.36
CHRND Q07001 1/20 0.36
CHRNA2 Q15822 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL12778028 1.00 CHRNA3 (0.47) CHRNA3CHRNA7CHRNA1SMN1; SMN2CHRNB2
SCHEMBL13889841 0.80 CHRNB2 (0.39) CHRNA3CHRNA7CHRNA1CHRNB2CHRNA4
SCHEMBL7128344 0.78 CHRNA3 (0.57) CHRNA3CHRNA7CHRNA1SMN1; SMN2CHRNB2
SCHEMBL9025575 0.76 CHRNA3 (0.53) CHRNA3CHRNA7CHRNA1SMN1; SMN2CHRNB2
SCHEMBL7122960 0.72 SMN1; SMN2 (0.57) CHRNA3CHRNA7CHRNA1SMN1; SMN2CHRNB2
SCHEMBL7664585 0.71 SMN1; SMN2 (0.52) CHRNA3CHRNA7CHRNA1SMN1; SMN2CHRNB2
SCHEMBL7124857 0.69 CHRNA1 (0.36) CHRNA3CHRNA7CHRNA1SMN1; SMN2ALDH1A1
SCHEMBL7124862 0.69 CHRNA1 (0.36) CHRNA3CHRNA7CHRNA1SMN1; SMN2ALDH1A1
SCHEMBL7168019 0.68 CHRNA1 (0.35) CHRNA3CHRNA7CHRNA1SMN1; SMN2
SCHEMBL9025805 0.68 CHRNA1 (0.35) CHRNA3CHRNA7CHRNA1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 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 (2 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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE CHRNA3 1077/4885CHRNA7 1369/4885CHRNA1 2375/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CHRNA3 1077/4885CHRNA7 1369/4885CHRNA1 2375/4885

“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.