SCHEMBL11913434

SCHEMBL11913434

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.38
▸ HSP90B1 P14625 2/20 0.38
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ MEP1B Q16820 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
SCHEMBL11913423 0.92 HSP90AA1 (0.33) HSP90AA1HSP90B1
SCHEMBL11918138 0.90 HSP90AA1 (0.32) HSP90AA1HSP90B1KMT2AMEN1TP53
SCHEMBL11903201 0.86 P2RX7 (0.39) HSP90AA1P2RX7CYP1A2
SCHEMBL11913430 0.86 MEP1B (0.34) KMT2AMEN1HPGDALDH1A1P2RX7
SCHEMBL11903393 0.83 HSP90AA1 (0.33) HSP90AA1
SCHEMBL1653947 0.83 GRIN2B (0.32) ALDH1A1KDM4EMEP1B
SCHEMBL11902642 0.81 ALDH1A1 (0.34) KMT2AALDH1A1KDM4EPOLBMEP1B
SCHEMBL11902965 0.81 HTT (0.39) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL11903073 0.80 TAS1R3 (0.34) KMT2AALDH1A1KDM4EMEP1B
SCHEMBL11903251 0.79 HSP90AA1 (0.38) HSP90AA1P2RX7

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 853/4885HSP90B1 1301/4885KMT2A 1798/4885

“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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