SCHEMBL5214060

SCHEMBL5214060

BrCCOc1cccc2nnccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 14/20 0.42
CYBB P04839 5/20 0.41
NOX5 Q96PH1 1/20 0.41
HTR1B P28222 1/20 0.36
KCNA3 P22001 1/20 0.35
EIF4EBP1 Q13541 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5211140 0.80 HTR1A (0.45) NCF1CYBBNOX5HTR1BNPC1
SCHEMBL5218606 0.74 GRM5 (0.44) NPC1ALDH1A1MAPTRAB9APOLB
SCHEMBL5206891 0.73 HTR1D (0.56) NCF1CYBBNOX5HTR1B
SCHEMBL9184287 0.72 NCF1 (0.46) NCF1CYBBNOX5HTR1BNPC1
SCHEMBL9186984 0.71 NCF1 (0.49) NCF1CYBBNOX5HTR1BKCNA3
SCHEMBL2164367 0.70 NCF1 (0.51) NCF1CYBBNOX5HTR1BKCNA3
SCHEMBL5209710 0.70 NCF1 (0.48) NCF1CYBBNOX5
SCHEMBL5211096 0.70 NCF1 (0.48) NCF1CYBBNOX5
SCHEMBL23412378 0.68 MAPT (0.52) NCF1CYBBNOX5HTR1BNPC1
SCHEMBL2204553 0.68 HTR1B (0.67) HTR1BKCNA3NPC1ALDH1A1MAPT

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 NCF1 839/4885CYBB 688/4885NOX5 770/4885

“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.