SCHEMBL1654723

SCHEMBL1654723

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc2[nH]cc(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.36
▸ ALPL P05186 4/20 0.35
▸ PRKAG1 P54619 3/20 0.34
▸ PRKAA1 Q13131 3/20 0.34
▸ PRKAB1 Q9Y478 3/20 0.34
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ MEP1B Q16820 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ RHEB Q15382 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL1656974 0.92 GLP1R (0.35) MEP1B
SCHEMBL11902825 0.92 KMO (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11903329 0.91 MEP1B (0.33) NR4A2ALPLPRKAG1PRKAA1PRKAB1
SCHEMBL11903206 0.88 PKM (0.35) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11902297 0.88 PTGES (0.36) MEP1B
SCHEMBL11903304 0.88 ABCB11 (0.34) ALPLMEP1BKDM4E
SCHEMBL11902585 0.87 DHODH (0.39) —
SCHEMBL11902294 0.86 PTGES (0.33) PRKAG1PRKAA1PRKAB1MEP1B
SCHEMBL11913427 0.86 SMN1; SMN2 (0.37) KDM4E
SCHEMBL11903307 0.86 PTGES (0.32) MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 — — EP 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
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 NR4A2 1337/4885ALPL 1784/4885PRKAG1 2566/4885

“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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