SCHEMBL1747889

SCHEMBL1747889

CN/C(=C/[N+](=O)[O-])C(C)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL1747888 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL1747890 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL1747866 0.86 KMT2A (0.33) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL1747865 0.86 KMT2A (0.33) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL1747867 0.86 KMT2A (0.33) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL1747870 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL1747869 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL1747871 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL9864447 0.80 ALDH1A1 (0.34) ALDH1A1MAPTHTTKMT2ANPSR1
SCHEMBL13798478 0.79 KMT2A (0.35) ALDH1A1KMT2ANPSR1OPRM1OPRD1

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 5 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
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 ALDH1A1 2675/4885MAPT 3946/4885HTT 2423/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE ALDH1A1 2675/4885MAPT 3946/4885HTT 2423/4885

“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.