SCHEMBL24909798

SCHEMBL24909798

CC(C)(C)c1cnc(-c2cc(C#N)cc(C(F)(F)F)c2O)cn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
LRRK2 Q5S007 1/20 0.32
TRPV4 Q9HBA0 2/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
GYS1 P13807 1/20 0.30
GRM5 P41594 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
SCHEMBL24909411 0.81 GRM5 (0.42) LRRK2GYS1GRM5
SCHEMBL24909900 0.79 LRRK2 (0.35) LRRK2TRPV4TTRALBGYS1
SCHEMBL24909353 0.74 PIK3CG (0.32) LRRK2TRPV4TTRALB
SCHEMBL24909416 0.73 CYP11B2 (0.36) LRRK2TRPV4TTRALB
SCHEMBL24910087 0.73 TRPV4 (0.34) TRPV4KDM1AMAOATTRALB
SCHEMBL24909746 0.72 GYS1 (0.35) LRRK2TRPV4TTRALBGYS1
SCHEMBL24910103 0.72 AR (0.40) TRPV4TTRALB
SCHEMBL24909796 0.72 AR (0.34) TRPV4TTRALB
SCHEMBL24909781 0.70 PDE3B (0.37) TRPV4TTRALBGYS1
SCHEMBL24909915 0.68 KIF11 (0.41) TRPV4TTRALBGYS1

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-20230024283-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-01-26 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-20230024283-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 ALOX5AP 2934/4885FEN1 3169/4885LRRK2 2146/4885

“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.