SCHEMBL6166011

SCHEMBL6166011

c1ccc(COc2cccc(-c3c[nH]nn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
BACE1 P56817 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA4 P43681 3/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
BCHE P06276 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
NR1H2 P55055 1/20 0.46
MAOA P21397 1/20 0.46
NSD2 O96028 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL1186713 0.84 RAB9A (0.58) MAOBBCHEMAOAL3MBTL1
SCHEMBL6164256 0.80 MAOB (0.42) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16432914 0.80 MAOB (0.49) MAOBBACE1MRGPRX4CYP4F2CYP4A11
SCHEMBL28320824 0.80 NR1H2 (0.39) MRGPRX4NR1H2PPARG
SCHEMBL379281 0.79 MAOB (0.67) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL23924350 0.78 MAOB (0.50) MAOBBACE1MRGPRX4CHRNB2CHRNB4
SCHEMBL4051954 0.78 AKT1 (0.54) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL2137838 0.78 MRGPRX4 (0.69) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL28321667 0.77 AGXT (0.44) MAOBBCHEL3MBTL1
SCHEMBL28876729 0.77 MRGPRX4 (0.44) MAOBMRGPRX4NR4A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (2 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP MAOB 489/4885BACE1 343/4885MRGPRX4 246/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP MAOB 529/4885BACE1 445/4885MRGPRX4 267/4885

“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.