SCHEMBL5220833

SCHEMBL5220833

CC(C)(C)OC(=O)N1CCCC(c2ccc(O)c([N+](=O)[O-])c2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SCN9A Q15858 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HPGDS O60760 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
BTK Q06187 2/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL24583314 0.90 ALDH1A1 (0.44) PDE4BALDH1A1MAPTLMNAUSP30
SCHEMBL5215828 0.83 PDE4B (0.48) PDE4BALDH1A1USP30HPGDSJAK2
SCHEMBL15747865 0.83 ALDH1A1 (0.58) PDE4BALDH1A1MAPTLMNAUSP30
SCHEMBL27583195 0.82 PDE4B (0.49) PDE4BALDH1A1SCN9AUSP30JAK2
SCHEMBL15650585 0.80 PDE4B (0.53) PDE4BALDH1A1MAPTSCN9AUSP30
SCHEMBL24793974 0.80 PDE4B (0.53) PDE4BALDH1A1MAPTSCN9AUSP30
SCHEMBL20748135 0.79 PDE4B (0.53) PDE4BALDH1A1MAPTLMNASCN9A
SCHEMBL28301552 0.79 PDE4B (0.53) PDE4BALDH1A1MAPTLMNASCN9A
SCHEMBL19175230 0.79 LMNA (0.44) PDE4BALDH1A1MAPTLMNAMEN1
SCHEMBL4031537 0.78 SIGMAR1 (0.54) PDE4BUSP30PRMT5BCL9CTNNB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO 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 (1 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 PDE4B 4101/4885ALDH1A1 1181/4885MAPT 4878/4885

“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.