SCHEMBL20138199

SCHEMBL20138199

Cc1nn(C)c(C)c1CN1C(=O)CCc2ccc(C3CCCN(S(C)(=O)=O)C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
GRM2 Q14416 1/20 0.33
MAP3K12 Q12852 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
AXL P30530 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
GNRHR P30968 1/20 0.31
HTT P42858 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
SCHEMBL18305075 0.90 CYP11B2 (0.34) CYP11B2SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL20137950 0.85 GALR3 (0.37) SMN1; SMN2MAPTMAP3K12ALDH1A1
SCHEMBL20138158 0.84 GALR3 (0.37) SMN1; SMN2LMNAMAPK1MAPTGRM2
SCHEMBL20137999 0.82 TSHR (0.35) CYP11B2SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL20138135 0.80 GRM2 (0.40) GRM2GNRHR
SCHEMBL20138145 0.80 HTT (0.34) SMN1; SMN2LMNAMAPK1KMT2ATSHR
SCHEMBL20138039 0.75 GALR3 (0.36) SMN1; SMN2LMNAMAPTMAP3K12ALDH1A1
SCHEMBL20138233 0.75 GALR3 (0.36) SMN1; SMN2LMNAALDH1A1
SCHEMBL20137959 0.73 RAB9A (0.37) SMN1; SMN2LMNAMAPTMEN1GAA
SCHEMBL18305069 0.73 GRM2 (0.40) SMN1; SMN2LMNAGRM2ALDH1A1GNRHR

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 CYP11B2 1128/4885SMN1; SMN2 798/4885LMNA 2073/4885
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 CYP11B2 1708/4885SMN1; SMN2 419/4885LMNA 1964/4885

“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.