SCHEMBL1747727

SCHEMBL1747727

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
ATG4B Q9Y4P1 1/20 0.36
NAMPT P43490 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP6 P55212 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1747729 1.00 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747725 1.00 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747765 0.85 ALDH1A1 (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747766 0.85 ALDH1A1 (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747764 0.85 ALDH1A1 (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747799 0.83 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747800 0.83 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747797 0.83 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1747892 0.83 FAAH (0.40) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL3255918 0.83 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT

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 8 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
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-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 CHRNB2 1113/4885CHRNA4 1322/4885SMN1; SMN2 1795/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CHRNB2 1113/4885CHRNA4 1322/4885SMN1; SMN2 1795/4885

“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.