SCHEMBL3524756

SCHEMBL3524756

O=C(NC1CC1)c1cccc(Cc2ccc3c(cnn3S(=O)(=O)c3ccc4c(c3)CCO4)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.39
LYPLAL1 Q5VWZ2 1/20 0.38
GAA P10253 1/20 0.38
ROCK2 O75116 1/20 0.38
CHRM5 P08912 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5209420 0.81 MAPK14 (0.48)
SCHEMBL3524757 0.79 CHRM5 (0.39) CHRM5
SCHEMBL3523191 0.78 MAPK13 (0.43)
SCHEMBL3521942 0.65 MAPK14 (0.51)
SCHEMBL3524964 0.65 MAPK14 (0.55) LMNA
SCHEMBL3523058 0.65 MAPK14 (0.56)
SCHEMBL3523918 0.65 MAPK14 (0.51)
SCHEMBL3521746 0.64 MAPK14 (0.55)
SCHEMBL3525759 0.64 MAPK14 (0.53)
SCHEMBL3524984 0.64 MAPK14 (0.49)

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-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 GPR52 664/4885LYPLAL1 2791/4885GAA 4108/4885

“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.