SCHEMBL20138176

SCHEMBL20138176

COCOCc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(-c3cccc(S(C)(=O)=O)c3)cc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.31
KCNH2 Q12809 1/20 0.31
NR1H2 P55055 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20137998 0.90 KCNH2 (0.33) RENKCNH2NR1H2MEN1KMT2A
SCHEMBL20138288 0.90 MEN1 (0.34) KCNH2NR1H2MEN1KMT2A
SCHEMBL20137953 0.87 SMN1; SMN2 (0.37) KCNH2NR1H2MEN1KMT2A
SCHEMBL20138017 0.86 MEN1 (0.33) KCNH2NR1H2MEN1KMT2A
SCHEMBL20138086 0.85 NR1H2 (0.32) NR1H2
SCHEMBL20137920 0.84 MEN1 (0.34) KCNH2NR1H2MEN1KMT2A
SCHEMBL20138116 0.83 SMN1; SMN2 (0.36) MEN1KMT2A
SCHEMBL20138258 0.81 TSHR (0.31)
SCHEMBL20138182 0.81 NR1H2 (0.34) KCNH2NR1H2MEN1KMT2A
SCHEMBL18305093 0.78 NR1H2 (0.31) NR1H2

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 REN 666/4885KCNH2 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 REN 806/4885KCNH2 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.