SCHEMBL11903090

SCHEMBL11903090

COC(=O)c1nc(C2CC2)nc2c1ccn2Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ACHE P22303 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11902809 0.89 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2ACHEKDM4E
SCHEMBL11902719 0.83 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1SMN1; SMN2ACHEKDM4E
SCHEMBL1609556 0.77 KDM4E (0.43) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL11918131 0.76 ACHE (0.41) ALDH1A1L3MBTL1SMN1; SMN2ACHEKDM4E
SCHEMBL11902550 0.76 HTT (0.45) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL11902749 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL11913410 0.74 PRKCQ (0.41) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL1609455 0.74 KMT2A (0.39) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1
SCHEMBL11902116 0.74 ACHE (0.40) ALDH1A1L3MBTL1ACHEKDM4EMEN1
SCHEMBL11902802 0.71 PRKCQ (0.39) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMEN1

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
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
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 ALDH1A1 718/4885L3MBTL1 2005/4885SMN1; SMN2 3709/4885

“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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