SCHEMBL5213005

SCHEMBL5213005

BrCCCOc1ccccc1-c1ccno1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.74
CYP19A1 P11511 3/20 0.74
CYP2C9 P11712 3/20 0.74
CYP2C19 P33261 3/20 0.74
ADRA1A P35348 3/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1B P35368 2/20 0.53
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CYP2D6 P10635 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
CNR2 P34972 3/20 0.35
AAK1 Q2M2I8 1/20 0.34
SCN9A Q15858 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 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
SCHEMBL5215791 0.92 CYP1A2 (0.71) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2798648 0.80 PTGDR2 (0.52) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2094257 0.80 CYP1A2 (0.66) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2093729 0.74 CYP1A2 (0.62) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2093726 0.74 CYP1A2 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL29755650 0.72 KDM4E (0.52) CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL17911627 0.72 KDM4E (0.52) CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL4866315 0.72 TP53 (0.62) MEN1KMT2ATP53MAPK1RAB9A
SCHEMBL5215799 0.71 CYP1A2 (0.55) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL5213011 0.71 CYP1A2 (0.75) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6

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 CYP1A2 317/4885CYP19A1 356/4885CYP2C9 359/4885

“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.