SCHEMBL5215828

SCHEMBL5215828

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PRMT5 O14744 1/20 0.41
HPGDS O60760 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
USP30 Q70CQ3 3/20 0.40
BCL9 O00512 3/20 0.40
CTNNB1 P35222 3/20 0.40
BTK Q06187 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27583195 0.91 PDE4B (0.49) PDE4BKDM4EKMT2AALDH1A1PRMT5
SCHEMBL5253946 0.85 CHEK2 (0.44) PDE4BKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5218219 0.84 CHEK2 (0.47) KDM4EKMT2AMEN1ALDH1A1BTK
SCHEMBL5220833 0.83 PDE4B (0.49) PDE4BKMT2AMEN1ALDH1A1PRMT5
SCHEMBL5217654 0.81 USP30 (0.44) PDE4BKMT2AMEN1USP30
SCHEMBL5214477 0.80 GPR119 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL5215281 0.79 GPR119 (0.49) PDE4BKMT2AMEN1
SCHEMBL5215797 0.79 GPR119 (0.44) PDE4BKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5217071 0.78 MAPT (0.59) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL15747865 0.78 ALDH1A1 (0.58) PDE4BKMT2AMEN1ALDH1A1HPGDS

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 4101/4885KDM4E 1680/4885KMT2A 2934/4885

“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.