SCHEMBL11903122

SCHEMBL11903122

C=C(C)Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ MEP1B Q16820 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ S1PR4 O95977 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29423657 0.85 KDM4E (0.40) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL115368 0.85 KDM4E (0.40) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL29442558 0.85 KDM4E (0.40) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL14354231 0.84 KDM4E (0.40) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL15128619 0.83 KDM4E (0.40) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL12786348 0.83 MEP1B (0.33) MEP1BKLKB1
SCHEMBL11903114 0.83 MEP1B (0.35) KDM4EPKMRCE1MEP1BKLKB1
SCHEMBL1918762 0.82 KDM4E (0.39) KDM4EPKMRCE1MEP1BKLKB1
SCHEMBL12009811 0.81 KDM4E (0.38) KDM4EPKMRCE1MEP1BS1PR4
SCHEMBL1917413 0.81 KDM4E (0.36) KDM4EPKMRCE1MEP1BS1PR4

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
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 KDM4E 3599/4885PKM 3536/4885RCE1 1753/4885

“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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