SCHEMBL20137953

SCHEMBL20137953

Cc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(-c3cccc(S(C)(=O)=O)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H2 P55055 6/20 0.32
NMT1 P30419 4/20 0.32
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
NR1H3 Q13133 3/20 0.31
RXRA P19793 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20138116 0.94 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138017 0.93 MEN1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138182 0.92 NR1H2 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138288 0.91 MEN1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20137920 0.90 MEN1 (0.34) MEN1KMT2ATSHRKCNH2NR1H2
SCHEMBL20137998 0.90 KCNH2 (0.33) MEN1KMT2ATSHRKCNH2NR1H2
SCHEMBL20138176 0.87 REN (0.31) MEN1KMT2AKCNH2NR1H2
SCHEMBL20138251 0.86 PLK4 (0.32) NR1H2NR1H3
SCHEMBL20138086 0.86 NR1H2 (0.32) NR1H2
SCHEMBL18305093 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
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 SMN1; SMN2 798/4885ALDH1A1 557/4885MEN1 4094/4885
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 SMN1; SMN2 419/4885ALDH1A1 244/4885MEN1 4202/4885

“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.