SCHEMBL2684380

SCHEMBL2684380

C=Cc1c(C(=O)OC)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1N(C)c1ccc(OC)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL2683617 0.89 ADORA3 (0.37) ADORA3TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL2684385 0.82 CYP1A2 (0.42) ADORA3LMNAMEN1KMT2AALDH1A1
SCHEMBL11902583 0.82 ADORA3 (0.37) ADORA3TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL2684319 0.81 HTT (0.33) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11902949 0.81 ADORA3 (0.38) ADORA3TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL2684112 0.79 ACLY (0.30)
SCHEMBL119041 0.78 KDM4E (0.33) GAAPDGFRBKDRL3MBTL1MEN1
SCHEMBL11902972 0.75 ADORA3 (0.36) ADORA3EGFRPDGFRBPDGFRAKDR
SCHEMBL10087225 0.74 CYP1A2 (0.33) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL2683612 0.74 CYP1A2 (0.45) LMNAMEN1KMT2AALDH1A1CYP1A2

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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ADORA3 2014/4885TAS1R3 1989/4885TAS1R1 2680/4885

“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.