SCHEMBL11903201

SCHEMBL11903201

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2c1c(C)cn2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.39
▸ HSP90AA1 P07900 2/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL11903251 0.93 HSP90AA1 (0.38) P2RX7HSP90AA1
SCHEMBL11913430 0.89 MEP1B (0.34) P2RX7SMN1; SMN2
SCHEMBL11902965 0.87 HTT (0.39) CYP1A2SMN1; SMN2
SCHEMBL11913432 0.86 P2RX7 (0.36) P2RX7HSP90AA1
SCHEMBL11913433 0.86 HSP90AA1 (0.38) P2RX7HSP90AA1CYP1A2
SCHEMBL11913434 0.86 HSP90AA1 (0.38) P2RX7HSP90AA1CYP1A2
SCHEMBL11913447 0.86 HSP90AA1 (0.39) P2RX7HSP90AA1
SCHEMBL1653947 0.86 GRIN2B (0.32) SMN1; SMN2
SCHEMBL11902559 0.86 CHRM1 (0.40) P2RX7HSP90AA1
SCHEMBL11902642 0.84 ALDH1A1 (0.34) SMN1; SMN2

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 4 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
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 P2RX7 1706/4885HSP90AA1 853/4885CA12 1924/4885

“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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