SCHEMBL2849327

SCHEMBL2849327

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(O)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.71
MAOB P27338 1/20 0.71
CYP3A4 P08684 3/20 0.70
CYP2D6 P10635 1/20 0.70
KCNH2 Q12809 1/20 0.62
CYP2C9 P11712 1/20 0.57

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
SCHEMBL2846668 1.00 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328495 0.89 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328501 0.89 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328493 0.89 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11983302 0.88 MAOA (0.73) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21999062 0.88 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL6510342 0.88 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL12956215 0.88 MAOA (0.66) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4168836 0.87 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL18770272 0.87 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2

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-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 EP disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 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-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 MAOA 1464/4885MAOB 1605/4885CYP3A4 1420/4885

“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.