SCHEMBL1250720

SCHEMBL1250720

Cc1cc(N2CCN/C2=C\[N+](=O)[O-])cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CHRNA3 P32297 9/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNB2 P17787 14/20 0.40
CHRNA4 P43681 14/20 0.40
CHRNB4 P30926 8/20 0.40
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM1 P11229 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL1250723 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL6852000 0.79 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL6852003 0.79 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL28393463 0.79 ADRB1 (0.41) SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP3A4
SCHEMBL28393468 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2
SCHEMBL9217916 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9217910 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9207922 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA3CHRNA1CHRNA7
SCHEMBL28400518 0.74 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2
SCHEMBL9219085 0.74 CHRNB2 (0.43) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2

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 3997/4885CHRNA3 427/4885CHRNA1 769/4885

“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.