SCHEMBL1747882

SCHEMBL1747882

CC(C)NC(=C[N+](=O)[O-])Cc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 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
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CASP6 P55212 1/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1747881 1.00 CHRNA1 (0.40) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747813 0.89 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747812 0.89 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747809 0.89 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747709 0.86 CHRNB2 (0.42) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747708 0.86 CHRNB2 (0.42) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747706 0.86 CHRNB2 (0.42) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747885 0.85 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747886 0.85 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1747884 0.85 CHRNB2 (0.38) CHRNA1CHRNA3CHRNA7CHRNB2CHRNA4

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 CHRNA1 2375/4885CHRNA3 1077/4885CHRNA7 1369/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CHRNA1 2375/4885CHRNA3 1077/4885CHRNA7 1369/4885

“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.