SCHEMBL236738

SCHEMBL236738

CCN(Cc1ccc(F)nc1)/C(=C/[N+](=O)[O-])NC

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
QPCT Q16769 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL236739 1.00 MMP2 (0.34) MMP2MMP9MMP8MMP13QPCT
SCHEMBL235769 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL235768 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
Nitenpyram SCHEMBL31030931 0.86 SMN1; SMN2 (0.40) ALDH1A1
Nitenpyram SCHEMBL25788 0.86 SMN1; SMN2 (0.40) ALDH1A1
Nitenpyram SCHEMBL13448342 0.86 SMN1; SMN2 (0.40) ALDH1A1
Nitenpyram SCHEMBL29388004 0.86 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL238070 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL238069 0.86 ALDH1A1 (0.31) ALDH1A1
Nitenpyram SCHEMBL25789 0.86 SMN1; SMN2 (0.40) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225940-B1 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION GMBH (AT) 2014-03-12 EP disclosed
US-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US disclosed
EP-2225940-A1 Oil dispersions of nAChR binding neonicotinoids GAT Microencapsulation AG (AT) 2010-09-08 EP 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 (1 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 MMP2 3468/4885MMP9 2860/4885MMP8 1899/4885

“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.