SCHEMBL1747669

SCHEMBL1747669

CC(/C(N)=C/[N+](=O)[O-])c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CASP6 P55212 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1747670 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ADRA2AADRA2BADRA2CCASP6
SCHEMBL1747672 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ADRA2AADRA2BADRA2CCASP6
SCHEMBL1747869 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CASP6KCNH2CHRNB2CHRNA4
SCHEMBL1747871 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CASP6KCNH2CHRNB2CHRNA4
SCHEMBL1747870 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CASP6KCNH2CHRNB2CHRNA4
SCHEMBL1747848 0.81 CASP6 (0.33) SMN1; SMN2CASP6CHRNB2CHRNA4CYP3A4
SCHEMBL1747849 0.81 CASP6 (0.33) SMN1; SMN2CASP6CHRNB2CHRNA4CYP3A4
SCHEMBL1747711 0.80 SMN1; SMN2 (0.34) SMN1; SMN2CASP6KCNH2CHRNB2CHRNA4
SCHEMBL9584697 0.80 MAPK1 (0.40) SMN1; SMN2ADRA2AADRA2BADRA2CCASP6
SCHEMBL1747712 0.80 SMN1; SMN2 (0.34) SMN1; SMN2CASP6KCNH2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 WO 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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE SMN1; SMN2 1795/4885ADRA2A 2798/4885ADRA2B 3435/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE SMN1; SMN2 1795/4885ADRA2A 2798/4885ADRA2B 3435/4885

“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.