SCHEMBL4477670

SCHEMBL4477670

O=C(O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
BCL2 P10415 1/20 0.56
HIF1A Q16665 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NCF1 P14598 1/20 0.52
ALDH1A1 P00352 3/20 0.52
PSMB8 P28062 1/20 0.52
CHEK1 O14757 1/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
FAAH O00519 2/20 0.51
CD274 Q9NZQ7 1/20 0.50
EPAS1 Q99814 1/20 0.50
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL31554953 0.87 HRH3 (0.60) HDAC1HIF1ACYP2D6CYP2C9HRH3
SCHEMBL254490 0.86 HRH3 (0.72) HDAC1HIF1AHRH3ALDH1A1CHEK1
SCHEMBL1690875 0.86 ALDH1A1 (0.66) HDAC1CYP2D6CYP2C9HRH3NCF1
SCHEMBL29865404 0.85 HIF1A (0.73) HIF1ACYP2D6CYP2C9NCF1ALDH1A1
SCHEMBL3829994 0.85 HIF1A (0.73) HIF1ACYP2D6CYP2C9NCF1ALDH1A1
SCHEMBL1366240 0.84 BCL2 (0.59) HDAC1BCL2HIF1ACYP2D6CYP2C9
SCHEMBL20658808 0.83 HIF1A (0.71) HIF1ACYP2D6CYP2C9NCF1ALDH1A1
Hydrochloric Acid SCHEMBL9837720 0.83 HIF1A (0.71) HIF1ACYP2D6CYP2C9NCF1ALDH1A1
SCHEMBL5177652 0.82 HRH3 (0.62) BCL2HIF1ACYP2D6CYP2C9HRH3
SCHEMBL3232799 0.82 HRH3 (0.53) HDAC1CYP2D6CYP2C9HRH3NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP claimed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO claimed
US-7494993-B2 Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents HOFFMANN-LA ROCHE INC. 2008-02-07 US disclosed
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP disclosed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 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-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents DPYD, GART, DDC HDAC1 1363/4885BCL2 4856/4885HIF1A 2650/4885

“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.