SCHEMBL1747686

SCHEMBL1747686

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX12 P18054 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP6 P55212 1/20 0.32
HTT P42858 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HCRTR2 O43614 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
SCHEMBL1747688 1.00 PKM (0.34) PKMCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747689 1.00 PKM (0.34) PKMCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747740 0.89 CASP6 (0.33) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747741 0.89 CASP6 (0.33) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747742 0.89 CASP6 (0.33) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3254592 0.88 SMN1; SMN2 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3254596 0.88 SMN1; SMN2 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3254588 0.88 SMN1; SMN2 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747818 0.86 SMN1; SMN2 (0.37) PKMCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1747816 0.86 SMN1; SMN2 (0.37) PKMCYP3A4CYP2D6SLC6A2SLC6A4

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 12 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
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 PKM 1045/4885CYP3A4 1161/4885CYP2D6 1988/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE PKM 1045/4885CYP3A4 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.