SCHEMBL1747816

SCHEMBL1747816

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATG4B Q9Y4P1 1/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CASP6 P55212 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL1747819 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AATG4BHPGD
SCHEMBL1747818 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AATG4BHPGD
SCHEMBL1747742 0.87 CASP6 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1747740 0.87 CASP6 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1747741 0.87 CASP6 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3254588 0.86 SMN1; SMN2 (0.36) SMN1; SMN2ATG4BALDH1A1MAPTCASP6
SCHEMBL1747686 0.86 PKM (0.34) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1747689 0.86 PKM (0.34) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1747688 0.86 PKM (0.34) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3254592 0.86 SMN1; SMN2 (0.36) SMN1; SMN2ATG4BALDH1A1MAPTCASP6

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 14 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
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-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-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 SMN1; SMN2 1795/4885NPC1 3269/4885RAB9A 360/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE SMN1; SMN2 1795/4885NPC1 3269/4885RAB9A 360/4885

“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.