SCHEMBL5162745

SCHEMBL5162745

BrCOc1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.68
BCHE P06276 3/20 0.59
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
MAOA P21397 1/20 0.57
NR4A2 P43354 1/20 0.57
ALOX5 P09917 1/20 0.56
LCK P06239 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRM5 P41594 1/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51

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
SCHEMBL1268719 0.90 MAOB (0.81) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL9939705 0.87 ALOX5 (0.76) MAOBMAOAALOX5LCKMEN1
SCHEMBL6507891 0.85 MAOB (0.64) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL80829 0.85 MAOB (0.68) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL29411728 0.85 MAOB (0.68) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL28237963 0.84 MAOB (0.72) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL28182081 0.84 MAOB (0.79) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL5329319 0.84 MAOB (0.72) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL7285169 0.84 MAOB (0.62) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL1770370 0.83 TP53 (0.50) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328855-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-06-06 EP disclosed
EP-3256471-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-12-20 EP disclosed
EP-3215504-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-09-13 EP disclosed
WO-2017017042-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
WO-2016128335-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO disclosed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 WO disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
EP-1765792-A1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF STEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY Sterix Limited (GB) 2007-03-28 EP disclosed
WO-2005115996-A1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF SEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY STERIX LIMITED (GB) 2005-12-08 WO disclosed
US-20050009830-A1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY. 2005-01-13 US disclosed
US-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed
US-6114549-A Process of making 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-09-05 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-20050009830-A1 Heterocyclic cytotoxic agents CCNE1, RB1, CCNA1 MAOB 2542/4885BCHE 2696/4885CYP4F2 1387/4885

“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.