SCHEMBL11902410

SCHEMBL11902410

CCOCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2[nH]cc(C)c12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ MEP1B Q16820 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL11902933 0.93 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MEP1BTDP1TSHR
SCHEMBL11903334 0.93 JAK3 (0.38) SMN1; SMN2ALDH1A1JAK2JAK3MEP1B
SCHEMBL11913425 0.92 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1JAK2JAK3MEP1B
SCHEMBL11902785 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL11903416 0.88 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1JAK2JAK3
SCHEMBL11902938 0.87 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1MEP1B
SCHEMBL1654718 0.87 TAS1R3 (0.34) ALDH1A1MEP1B
SCHEMBL11902297 0.86 PTGES (0.36) SMN1; SMN2ALDH1A1JAK2JAK3MEP1B
SCHEMBL11903222 0.85 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1JAK2JAK3MEP1B
SCHEMBL11903387 0.84 DHODH (0.36) SMN1; SMN2GAATDP1TSHR

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 SMN1; SMN2 3709/4885ALDH1A1 718/4885JAK2 3622/4885

“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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