SCHEMBL1654710

SCHEMBL1654710

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 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) RHEBKDM4EPKMRCE1ABL1
SCHEMBL11902934 0.81 TRPV1 (0.39) RHEBKDM4EPKMRCE1ABL1
SCHEMBL11913444 0.81 TRPV1 (0.38) ABL1ADORA2AADORA1TRPV1CYP1A2
SCHEMBL11902816 0.80 TAS1R3 (0.37) RHEBKDM4EADORA2AADORA1LIMK1
SCHEMBL11903262 0.77 LIMK1 (0.31) RHEBKDM4EPKMADORA2AADORA1
SCHEMBL11913403 0.74 GABRA2 (0.38) KDM4EPKMRCE1ABL1ADORA2A
SCHEMBL11903089 0.72 ABL1 (0.42) RHEBKDM4EPKMRCE1ABL1
SCHEMBL719097 0.72 KDM4E (0.42) KDM4EPKMRCE1ABL1KDR
SCHEMBL21632735 0.71 ABL1 (0.47) RHEBABL1ADORA2AADORA1HDAC6
SCHEMBL1653854 0.69 GCGR (0.37) KDM4EPKMRCE1ABL1PDE4A

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
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 — — CN 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 RHEB 1939/4885KDM4E 3599/4885PKM 3536/4885

“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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