SCHEMBL5217501

SCHEMBL5217501

COC(=O)COc1c(F)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
GPR119 Q8TDV5 7/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 3/20 0.39
DPP4 P27487 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL5362064 0.84 ALDH1A1 (0.50) GPR119ALDH1A1KMT2AGAAHTT
SCHEMBL5222332 0.83 GPR119 (0.43) SCN9AGPR119ALDH1A1KMT2AGAA
SCHEMBL5215471 0.82 SCN9A (0.44) SCN9AGPR119ALDH1A1KMT2AGAA
SCHEMBL18280182 0.76 DPP4 (0.51) SCN9AGPR119DPP4TLR7KDM4E
SCHEMBL5216291 0.75 SMN1; SMN2 (0.45) GPR119ALDH1A1KMT2AGAAHTT
SCHEMBL5214538 0.74 DPP4 (0.48) SCN9AGPR119ALDH1A1DPP4TLR7
SCHEMBL1294569 0.73 ESR2 (0.40) GPR119ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16113557 0.73 GPR119 (0.49) SCN9AGPR119DPP4KDM4EPKM
SCHEMBL18280030 0.72 DPP4 (0.52) SCN9AGPR119ALDH1A1DPP4TLR7
SCHEMBL22265458 0.72 GPR119 (0.47) SCN9AGPR119DPP4TLR7KDM4E

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 SCN9A 170/4885GPR119 1394/4885ALDH1A1 1181/4885

“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.