SCHEMBL20138116

SCHEMBL20138116

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NMT1 P30419 7/20 0.32
MYC P01106 2/20 0.30
WDR5 P61964 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
SCHEMBL20137953 0.94 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138127 0.87 MEN1 (0.34) MEN1KMT2ATSHR
SCHEMBL20138017 0.86 MEN1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138182 0.85 NR1H2 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20138288 0.85 MEN1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL20137998 0.84 KCNH2 (0.33) MEN1KMT2ATSHRMYCWDR5
SCHEMBL20137920 0.84 MEN1 (0.34) MEN1KMT2ATSHR
SCHEMBL20138176 0.83 REN (0.31) MEN1KMT2A
SCHEMBL20138086 0.82 NR1H2 (0.32)
SCHEMBL18305093 0.81 NR1H2 (0.31)

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 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.