SCHEMBL11918138

SCHEMBL11918138

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2c1c(C)cn2Cc1ccc(C(F)(F)F)o1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HSP90B1 P14625 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
SCHEMBL11903393 0.93 HSP90AA1 (0.33) HSP90AA1GRIN1GRIN2B
SCHEMBL11913434 0.90 HSP90AA1 (0.38) HSP90AA1KMT2AMEN1TP53HPGD
SCHEMBL11913430 0.85 MEP1B (0.34) KMT2AMEN1HPGDNOTUMGRIN2B
SCHEMBL11903201 0.83 P2RX7 (0.39) HSP90AA1
SCHEMBL11913423 0.83 HSP90AA1 (0.33) HSP90AA1HSP90B1
SCHEMBL1653947 0.80 GRIN2B (0.32) GRIN2BALDH1A1
SCHEMBL11902642 0.79 ALDH1A1 (0.34) KMT2AALDH1A1
SCHEMBL11902965 0.78 HTT (0.39) KMT2AMEN1HPGDALDH1A1
SCHEMBL11903073 0.78 TAS1R3 (0.34) KMT2AALDH1A1
SCHEMBL11903129 0.77 KDM4E (0.32) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 853/4885KMT2A 1798/4885MEN1 4608/4885

“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