SCHEMBL10028752

SCHEMBL10028752

CCN(Cc1ccc(Cl)nc1)/C(C)=C/[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP6 P55212 1/20 0.35

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
SCHEMBL7754488 0.86 CHRNB2 (0.39) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
SCHEMBL7671788 0.86 CHRNB2 (0.39) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
SCHEMBL7657443 0.85 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
SCHEMBL888516 0.84 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
Nitenpyram SCHEMBL25788 0.84 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
Nitenpyram SCHEMBL13448342 0.84 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
Nitenpyram SCHEMBL29388004 0.84 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
Nitenpyram SCHEMBL31030931 0.84 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
SCHEMBL888515 0.84 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT
Nitenpyram SCHEMBL25789 0.84 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993483-B2 Combination of active substances with insecticidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
US-8993483-B2 Combination of active substances with insecticidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
US-20120083491-A1 Combination of Active Substances with Insecticidal Properties BAYER CROPSCIENCE AG (DE) 2012-04-05 US disclosed
US-20120083491-A1 Combination of Active Substances with Insecticidal Properties BAYER CROPSCIENCE AG (DE) 2012-04-05 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-20120083491-A1 Combination of Active Substances with Insecticidal Properties ACHE, CHRM3, CHRNA2 ALDH1A1 2132/4885CHRNB2 16/4885CHRNA4 7/4885

“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.