SCHEMBL11903049

SCHEMBL11903049

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90B1 P14625 1/20 0.41
▸ LMNA P02545 11/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL11903226 0.87 HDAC1 (0.39) KDM4EHSP90AA1HSP90B1LMNAALDH1A1
SCHEMBL11903008 0.85 TSHR (0.43) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL11903405 0.83 PDE4D (0.37) —
SCHEMBL11902550 0.81 HTT (0.45) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL11902630 0.80 GRM2 (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL1608896 0.79 APP (0.42) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL11902835 0.76 EGLN1 (0.40) GAALMNATSHR
SCHEMBL11902325 0.76 ALDH1A1 (0.40) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL11913405 0.75 APP (0.40) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL1656972 0.74 NPC1 (0.39) GAAKDM4ELMNAALDH1A1MAPT

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 GAA 365/4885KDM4E 3599/4885HSP90AA1 853/4885

“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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