SCHEMBL1747730

SCHEMBL1747730

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
CASP6 P55212 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1747731 1.00 FFAR2 (0.34) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747733 1.00 FFAR2 (0.34) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747750 0.87 AKR1C3 (0.37) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747747 0.87 AKR1C3 (0.37) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747749 0.87 AKR1C3 (0.37) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747896 0.85 CYP2D6 (0.33) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747894 0.85 CYP2D6 (0.33) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747895 0.85 CYP2D6 (0.33) FFAR2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747861 0.83 CYP3A4 (0.32) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747860 0.83 CYP3A4 (0.32) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 9 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
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
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 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 (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 FFAR2 4570/4885CYP3A4 1161/4885CYP2D6 1988/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE FFAR2 4570/4885CYP3A4 1161/4885CYP2D6 1988/4885

“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.