SCHEMBL20138055

SCHEMBL20138055

COCOCc1c(CN2C(=O)COc3c(F)cc(-c4cccc(S(C)(=O)=O)c4)cc32)c(C)nn1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
KCNH2 Q12809 1/20 0.31
NR1H2 P55055 1/20 0.31
BRD4 O60885 2/20 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
SCHEMBL20138245 0.82 SLC5A2 (0.31)
SCHEMBL20138086 0.81 NR1H2 (0.32) NR1H2
SCHEMBL20138106 0.80 CD274 (0.37) CHRM1BRD4
SCHEMBL18305093 0.76 NR1H2 (0.31) NR1H2
SCHEMBL20138176 0.74 REN (0.31) KCNH2NR1H2
SCHEMBL18305065 0.73 KCNH2 (0.41) CHRM1KCNH2NR1H2BRD4
SCHEMBL20137953 0.72 SMN1; SMN2 (0.37) KCNH2NR1H2
SCHEMBL20138186 0.72 RAF1 (0.35) KCNH2NR1H2
SCHEMBL20138182 0.71 NR1H2 (0.34) KCNH2NR1H2
SCHEMBL20138226 0.69 PTGS1 (0.32) CHRM1KCNH2

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-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A CHRM1 3318/4885KCNH2 2028/4885NR1H2 592/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA CHRM1 2532/4885KCNH2 2809/4885NR1H2 1167/4885

“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.