SCHEMBL6723120

SCHEMBL6723120

O=[N+]([O-])/N=C1/NCOCN1Cc1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRNA1 P02708 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA3 P32297 1/20 0.48
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CASP6 P55212 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10026154 1.00 CHRNB2 (0.51) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL6447070 1.00 CHRNB2 (0.51) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL22278 0.84 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL12002532 0.84 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL29436142 0.84 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL182289 0.84 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL237917 0.84 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL676764 0.81 CHRNA1 (0.66) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL8113019 0.81 CHRNA1 (0.66) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7638837 0.81 CHRNA1 (0.66) 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
US-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides WAGNER KLAUS (DE) 2004-06-24 US disclosed
US-6683028-B1 Cyclic guanidine derivatives and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1144407-B1 CYCLIC GUANIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-06-04 EP 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-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides PRMT1, GUCY1A1, GUCY1A2 CHRNB2 527/4885CHRNA4 440/4885ALDH1A1 881/4885

“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.