SCHEMBL11903040

SCHEMBL11903040

O=C(O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2Cc1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.39
▸ KDM4C Q9H3R0 4/20 0.36
▸ PDE4B Q07343 6/20 0.35
▸ PDE4D Q08499 5/20 0.35
▸ PDE4A P27815 4/20 0.35
▸ PDE4C Q08493 4/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ HSD17B13 Q7Z5P4 1/20 0.34

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
SCHEMBL11903405 0.89 PDE4D (0.37) KDM4CPDE4BPDE4DPDE4APDE4C
SCHEMBL11902835 0.86 EGLN1 (0.40) KMOPDE4DHDAC1HDAC6FGFR1
SCHEMBL11903413 0.79 ALDH1A1 (0.39) HDAC1HDAC6HDAC4PPARG
SCHEMBL11903226 0.77 HDAC1 (0.39) PDE4BPDE4DHDAC1HDAC6FGFR1
SCHEMBL11902957 0.73 NOTUM (0.40) KMOMDM2PPARGCYP2C9
SCHEMBL11903049 0.71 GAA (0.41) CYP2C9
SCHEMBL11902550 0.70 HTT (0.45) HDAC1HDAC6HDAC4
SCHEMBL11902325 0.69 ALDH1A1 (0.40) —
SCHEMBL11913401 0.69 PDE4D (0.37) KMOKDM4CPDE4BPDE4DPDE4A
SCHEMBL11902630 0.69 GRM2 (0.37) PDE4BPDE4DPDE4APDE4CGRIN2B

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 KMO 89/4885KDM4C 2009/4885PDE4B 2195/4885

“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