SCHEMBL11902719

SCHEMBL11902719

COC(=O)c1nc(C2CC2)nc2c1cc(C)n2Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11902116 0.91 ACHE (0.40) ACHEALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL11903090 0.83 ALDH1A1 (0.41) SMN1; SMN2ACHEGSK3BALDH1A1L3MBTL1
SCHEMBL11903055 0.77 HTT (0.42) SMN1; SMN2GSK3BALDH1A1KDM4EMEN1
SCHEMBL11903193 0.76 HTT (0.41) SMN1; SMN2GSK3BALDH1A1KDM4EMEN1
SCHEMBL11918131 0.74 ACHE (0.41) SMN1; SMN2ACHEGSK3BALDH1A1L3MBTL1
SCHEMBL1609556 0.74 KDM4E (0.43) SMN1; SMN2GSK3BALDH1A1L3MBTL1KDM4E
SCHEMBL11902809 0.72 ALDH1A1 (0.42) SMN1; SMN2ACHEALDH1A1L3MBTL1KDM4E
SCHEMBL11913410 0.71 PRKCQ (0.41) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL11902749 0.71 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1609455 0.70 KMT2A (0.39) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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 (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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO SMN1; SMN2 3709/4885ACHE 225/4885GSK3B 1267/4885

“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.

Send feedback