SCHEMBL11902802

SCHEMBL11902802

CCOC=Cc1c(NCc2ccccc2[N+](=O)[O-])nc(C2CC2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL11913410 0.90 PRKCQ (0.41) PRKCQALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL1609556 0.82 KDM4E (0.43) PRKCQALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL11902749 0.81 ALDH1A1 (0.42) PRKCQALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL11902799 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL11902803 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL12786061 0.78 ALDH1A1 (0.42) PRKCQALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL11903209 0.78 ALDH1A1 (0.42) PRKCQALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL11903090 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL11918153 0.70 PDE10A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL1608875 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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 (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 PRKCQ 3612/4885ALDH1A1 718/4885L3MBTL1 2005/4885

“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.

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