SCHEMBL5215799

SCHEMBL5215799

CC(Br)Oc1ccccc1-c1ccno1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADRA1A P35348 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1B P35368 2/20 0.45
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 3/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2093729 0.78 CYP1A2 (0.62) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2093726 0.75 CYP1A2 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL12680712 0.73 CYP1A2 (0.47) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL13522937 0.73 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL5215791 0.72 CYP1A2 (0.71) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2094257 0.71 CYP1A2 (0.66) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL17911629 0.71 KMT2A (0.42) ALDH1A1KDM4ETP53ADRA2AADRA2B
SCHEMBL5213005 0.71 CYP1A2 (0.74) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL12681544 0.69 SMN1; SMN2 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL7450169 0.69 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A

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 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.