SCHEMBL11903393

SCHEMBL11903393

COc1c(Cl)ccc(-c2nc(C(=O)O)c3c(C)cn(Cc4ccc(C(F)(F)F)o4)c3n2)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL11918138 0.93 HSP90AA1 (0.32) HSP90AA1GRIN1GRIN2B
SCHEMBL11913423 0.90 HSP90AA1 (0.33) HSP90AA1
SCHEMBL11913429 0.85 HSD17B10 (0.34) HSP90AA1GRIN2B
SCHEMBL11903251 0.84 HSP90AA1 (0.38) HSP90AA1
SCHEMBL11913433 0.83 HSP90AA1 (0.38) HSP90AA1
SCHEMBL11913432 0.83 P2RX7 (0.36) HSP90AA1
SCHEMBL11913434 0.83 HSP90AA1 (0.38) HSP90AA1
SCHEMBL11902559 0.82 CHRM1 (0.40) HSP90AA1
SCHEMBL1653978 0.80 HSD17B10 (0.32) HSP90AA1GRIN2B
SCHEMBL11903201 0.77 P2RX7 (0.39) HSP90AA1

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
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 HSP90AA1 853/4885GRIN1 892/4885GRIN2B 682/4885

“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.

Send feedback