SCHEMBL1747848

SCHEMBL1747848

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
FFAR2 O15552 1/20 0.32
MAPT P10636 2/20 0.32
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL1747849 1.00 CASP6 (0.33) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2
SCHEMBL1747894 0.83 CYP2D6 (0.33) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2
SCHEMBL1747895 0.83 CYP2D6 (0.33) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2
SCHEMBL1747896 0.83 CYP2D6 (0.33) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2
SCHEMBL1747670 0.81 SMN1; SMN2 (0.36) CASP6SMN1; SMN2CHRNB2CHRNA4MAPT
SCHEMBL1747672 0.81 SMN1; SMN2 (0.36) CASP6SMN1; SMN2CHRNB2CHRNA4MAPT
SCHEMBL1747669 0.81 SMN1; SMN2 (0.36) CASP6SMN1; SMN2CHRNB2CHRNA4MAPT
SCHEMBL4410557 0.76 CASP6 (0.34) CASP6AKR1C3AKR1C2CHRNB2CHRNA4
SCHEMBL1747749 0.76 AKR1C3 (0.37) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2
SCHEMBL1747747 0.76 AKR1C3 (0.37) CASP6AKR1C3AKR1C2SMN1; SMN2CHRNB2

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 11 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
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-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 CASP6 87/4885AKR1C3 2453/4885AKR1C2 2544/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CASP6 87/4885AKR1C3 2453/4885AKR1C2 2544/4885

“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.