SCHEMBL11903089

SCHEMBL11903089

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)cc2[nH]cc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.42
▸ KMO O15229 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ RHEB Q15382 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ NR4A2 P43354 3/20 0.38
▸ PTGES O14684 2/20 0.38
▸ ALPL P05186 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PSD A5PKW4 1/20 0.35

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
SCHEMBL11902528 0.83 ABL1 (0.39) ABL1KMOKDM4ERHEBPKM
SCHEMBL1654723 0.82 NR4A2 (0.36) KMOKDM4ERHEBPKMRCE1
SCHEMBL11918126 0.78 KMO (0.38) ABL1KMOPTGESCNR2PSD
SCHEMBL3326876 0.77 KDM4E (0.46) ABL1KMOKDM4EPKMRCE1
SCHEMBL1654450 0.77 NR4A2 (0.40) KMOKDM4ERHEBNR4A2PDE4A
SCHEMBL1656974 0.74 GLP1R (0.35) ALDH1A1SMN1; SMN2
SCHEMBL2464680 0.74 ABL1 (0.54) ABL1KMOKDM4EPKMRCE1
SCHEMBL11903329 0.74 MEP1B (0.33) KMOKDM4ENR4A2PTGESALPL
SCHEMBL11902825 0.73 KMO (0.43) KMOKDM4EALDH1A1HSD17B10
SCHEMBL11902297 0.73 PTGES (0.36) PTGESALDH1A1SMN1; SMN2

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 ABL1 859/4885KMO 89/4885KDM4E 3599/4885

“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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