SCHEMBL676764

SCHEMBL676764

O=[N+]([O-])/N=C1\NCCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.66
CHRNA3 P32297 1/20 0.66
CHRNA7 P36544 1/20 0.66
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CASP6 P55212 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8113019 1.00 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL7638837 1.00 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL12002532 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL237917 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL22278 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL29436142 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL182289 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL9045947 0.90 ALDH1A1 (0.59) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL6642346 0.89 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL15284816 0.89 ALDH1A1 (0.61) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410021-B2 Compositions for the control of plant pests BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8410021-B2 Compositions for the control of plant pests BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-7884049-B2 A synergistic mixture of imidacloprid and metalaxyl and does not contain thiram or fludioxonil; pesticides; fungicides; insecticides; plant diseases BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-7884049-B2 A synergistic mixture of imidacloprid and metalaxyl and does not contain thiram or fludioxonil; pesticides; fungicides; insecticides; plant diseases BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-7868025-B2 Pesticide BAYER CROPSCIENCE AG (DE) 2011-01-11 US disclosed
US-7868025-B2 Pesticide BAYER CROPSCIENCE AG (DE) 2011-01-11 US disclosed
US-20100210691-A1 Compositions for the Control of Plant Pests BAYER CROPSCIENCE AG (DE) 2010-08-19 US disclosed
US-20100210691-A1 Compositions for the Control of Plant Pests BAYER CROPSCIENCE AG (DE) 2010-08-19 US disclosed
US-20100041659-A1 Compositions for the control of plant pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-02-18 US disclosed
US-20100041659-A1 Compositions for the control of plant pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-02-18 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 (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-20100210691-A1 Compositions for the Control of Plant Pests MLX, CNPY3, PRDX2 CHRNA1 2762/4885CHRNA3 830/4885CHRNA7 2481/4885
US-20100041659-A1 Compositions for the control of plant pests RDX, PRXL2A, ACHE CHRNA1 1756/4885CHRNA3 2190/4885CHRNA7 2280/4885

“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.