SCHEMBL5216622

SCHEMBL5216622

CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.68
MET P08581 1/20 0.51
SIRT6 Q8N6T7 2/20 0.50
PDK2 Q15119 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GPR119 Q8TDV5 5/20 0.46
NAMPT P43490 1/20 0.46
ABCB1 P08183 1/20 0.46
KCNH2 Q12809 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL30307835 0.91 MAPT (0.68) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL1106913 0.91 MAPT (0.68) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL16270620 0.90 MAPT (0.71) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL29858317 0.90 MAPT (0.71) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL16665290 0.88 ALDH1A1 (0.68) MAPTALDH1A1LMNAMETPDK2
SCHEMBL20339075 0.87 MAPT (0.67) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL29355899 0.87 MAPT (0.67) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL28978026 0.87 MAPT (0.67) MAPTALDH1A1LMNAMETPDK2
SCHEMBL16270621 0.87 MAPT (0.70) MAPTALDH1A1LMNAMETSIRT6
SCHEMBL20352127 0.87 MAPT (0.67) MAPTALDH1A1LMNAMETSIRT6

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 MAPT 4878/4885ALDH1A1 1181/4885LMNA 1111/4885

“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.