SCHEMBL22018303

SCHEMBL22018303

CNC(=O)c1cc[n+](CC[C@H](N)C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
BAZ2B Q9UIF8 1/20 0.35
PLK1 P53350 1/20 0.35
GRM4 Q14833 4/20 0.33
GRM8 O00222 3/20 0.33
CASR P41180 1/20 0.33
GRM5 P41594 1/20 0.33
GRM6 O15303 1/20 0.32
KIF11 P52732 6/20 0.32
LTA4H P09960 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22018097 0.88 CASR (0.34) SLC7A5GRM4GRM8CASR
SCHEMBL22018287 0.84 KMT2A (0.35) SLC7A5GRM4GRM8GRM5GRM6
Trifluoroacetic Acid SCHEMBL28636930 0.82 GABRA5 (0.33) GRM4GRM8CASR
Trifluoroacetic Acid SCHEMBL28636927 0.80 GABRA5 (0.33)
SCHEMBL22018297 0.80 BAZ2B (0.39) BAZ2BPLK1GRM5POLB
SCHEMBL22018105 0.76 HPGDS (0.35) LTA4HKMT2A
SCHEMBL22018291 0.76 HPGDS (0.35) LTA4HKMT2A
SCHEMBL22345226 0.74 KIF11 (0.35) SLC7A5GRM4GRM8KIF11
SCHEMBL20753844 0.74 KIF11 (0.35) SLC7A5GRM4GRM8KIF11
SCHEMBL22345227 0.74 KIF11 (0.35) SLC7A5GRM4GRM8KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 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-20210403435-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 SLC7A5 2197/4885BAZ2B 4268/4885PLK1 3706/4885

“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.