SCHEMBL11902528

SCHEMBL11902528

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RHEB Q15382 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ KMO O15229 2/20 0.37
▸ LIMK1 P53667 2/20 0.37
▸ PDE4D Q08499 3/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL11903089 0.83 ABL1 (0.42) ABL1KDM4ERHEBPKMRCE1
SCHEMBL1654710 0.83 RHEB (0.40) ABL1KDM4ERHEBPKMRCE1
SCHEMBL11913448 0.81 CYP1A2 (0.38) ABL1KMOLIMK1PDE4DCYP1A2
SCHEMBL1654718 0.80 TAS1R3 (0.34) KDM4ERHEBPKMRCE1KMO
SCHEMBL11902934 0.79 TRPV1 (0.39) ABL1KDM4ERHEBPKMRCE1
SCHEMBL11917993 0.79 ABL1 (0.37) ABL1KMOLIMK1PDE4DPDE4A
SCHEMBL11903110 0.77 ROCK2 (0.31) KDM4EPKMKMOLIMK1ALDH1A1
SCHEMBL11902801 0.74 NPSR1 (0.40) KDM4EPKMKMOLIMK1ALDH1A1
SCHEMBL11913403 0.74 GABRA2 (0.38) ABL1KDM4EPKMRCE1KMO
SCHEMBL11903334 0.72 JAK3 (0.38) ALDH1A1SMN1; SMN2HSD17B10JAK3JAK2

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 2 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

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 859/4885KDM4E 3599/4885RHEB 1939/4885

“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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