SCHEMBL4093765

SCHEMBL4093765

CC(C)(C)C(NC(=O)O)c1cccc(-c2ccc(Cl)c(N)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 5/20 0.40
NTRK1 P04629 3/20 0.37
SCN9A Q15858 2/20 0.36
CTSA P10619 1/20 0.36
XIAP P98170 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
KMO O15229 1/20 0.34
ABL1 P00519 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
SCHEMBL4088393 0.83 MAPT (0.43) CNR2CNR1
SCHEMBL4088395 0.83 MAPT (0.43) CNR2CNR1
SCHEMBL4943891 0.74 NPC1 (0.42)
SCHEMBL4093768 0.69 NTRK1 (0.38) CNR2NTRK1JAK2JAK3ABL1
SCHEMBL18014763 0.67 ABL1 (0.41) CNR2CNR1IRAK4KMOABL1
SCHEMBL2459503 0.63 CPN1 (0.45)
SCHEMBL12139742 0.63 KMO (0.42) CNR1SCN9ACTSAIRAK4KMO
SCHEMBL2609333 0.63 KMO (0.45) KMOABL1
SCHEMBL12139880 0.62 HSD17B14 (0.40) CNR2CNR1SCN9ACTSAIRAK4
SCHEMBL25458067 0.62 ALDH1A1 (0.45) NTRK1SCN9AIRAK4ABL1

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 CNR2 4806/4885CNR1 4788/4885NTRK1 3954/4885

“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.