SCHEMBL25793372

SCHEMBL25793372

Cc1ccc(Oc2ccnc3c2cc(C)n3COCC[Si](C)(C)C)cc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
AXL P30530 3/20 0.32
NPC1 O15118 1/20 0.32
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDGFRA P16234 3/20 0.30
KDR P35968 2/20 0.30
KIT P10721 1/20 0.30
FGFR2 P21802 1/20 0.30
PDGFRB P09619 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
SCHEMBL25293629 0.86 KDR (0.43) AXLPDGFRAKDRKITFGFR2
SCHEMBL25793364 0.84 MET (0.34) DGAT1AXLCCNCCDK8PDGFRA
SCHEMBL25793374 0.83 GRM2 (0.32) DGAT1NPC1
SCHEMBL25793369 0.83 GRM2 (0.33) DGAT1NPC1
SCHEMBL25793375 0.82 DGAT1 (0.34) DGAT1
SCHEMBL25793134 0.81 KDR (0.45) AXLPDGFRAKDRKITFGFR2
SCHEMBL25793365 0.80 DGAT1 (0.36) DGAT1AXLKDR
SCHEMBL25793370 0.80 DGAT1 (0.37) DGAT1
SCHEMBL25793371 0.77 DGAT1 (0.37) DGAT1
SCHEMBL20437123 0.75 NPC1 (0.37) DGAT1NPC1MAPT

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 DGAT1 4127/4885AXL 3641/4885NPC1 348/4885

“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.