SCHEMBL1249554

SCHEMBL1249554

CN1CCN(Cc2ccc(Cl)nc2)/C1=C/[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
CHRNA1 P02708 3/20 0.59
CHRNA7 P36544 3/20 0.59
CHRNA3 P32297 2/20 0.59
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
CASP6 P55212 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1249555 1.00 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL11914215 1.00 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL7995370 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL7995367 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL13058940 0.80 CHRNB2 (0.55) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL9826625 0.80 CHRNB2 (0.55) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL1020001 0.77 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL7995849 0.77 CHRNA1 (0.67) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL7993948 0.77 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1
SCHEMBL6624321 0.77 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA7CHRNA3ALDH1A1

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
EP-2281812-B1 NITROGENOUS HETEROCYCLIC COMPOUND WITH INSECTICIDAL ACTIVITY AND ITS PREPARATION AND USE UNIV EAST CHINA SCIENCE & TECH (CN) 2014-01-22 EP disclosed
US-8232407-B2 Nitrogenous heterocyclic compounds with insecticidal activity, and the preparation and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-07-31 US disclosed
EP-2281812-A1 NITROGENOUS HETEROCYCLIC COMPOUND WITH INSECTICIDAL ACTIVITY AND ITS PREPARATION AND USE East China University of Science and Technology (CN) 2011-02-09 EP disclosed
US-20100298346-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WITH INSECTICIDAL ACTIVITY, AND THE PREPARATION AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-11-25 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-20100298346-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WITH INSECTICIDAL ACTIVITY, AND THE PREPARATION AND USE THEREOF NIT2, NOS2, NOS3 SMN1; SMN2 3997/4885CHRNA1 769/4885CHRNA7 852/4885

“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.