SCHEMBL5218219

SCHEMBL5218219

CC(C)(C)OC(=O)N1CCCC(COc2ccc(OCC(=O)O)c([N+](=O)[O-])c2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.47
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 2/20 0.41
BTK Q06187 1/20 0.41
BCHE P06276 2/20 0.41
HTR6 P50406 2/20 0.41
FEN1 P39748 2/20 0.41
ALOX5AP P20292 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PFKFB3 Q16875 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 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
SCHEMBL5214477 0.95 GPR119 (0.42) CHEK2MEN1KMT2AALDH1A1MAPT
SCHEMBL5253946 0.87 CHEK2 (0.44) CHEK2KDM4EBTKMEN1KMT2A
SCHEMBL5215828 0.84 PDE4B (0.48) KDM4EBTKMEN1KMT2ANPC1
SCHEMBL5217654 0.83 USP30 (0.44) MEN1KMT2AGPR119
SCHEMBL5163789 0.82 SCN9A (0.51) CHEK2SCN9ABTKBCHEHTR6
SCHEMBL5166008 0.82 SCN9A (0.51) CHEK2SCN9ABTKBCHEHTR6
SCHEMBL5163780 0.82 SCN9A (0.51) CHEK2SCN9ABTKBCHEHTR6
SCHEMBL5215281 0.81 GPR119 (0.49) CHEK2MEN1KMT2AGPR119
SCHEMBL22348727 0.78 ALDH1A1 (0.42) CHEK2BTKFEN1ALOX5APNPC1
SCHEMBL4031568 0.78 SCN9A (0.51) CHEK2SCN9AFEN1ALOX5APALDH1A1

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
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

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 CHEK2 3457/4885SCN9A 170/4885KDM4E 1680/4885

“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.