SCHEMBL4892875

SCHEMBL4892875

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C=NO)nc2)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.74
CYP3A4 P08684 4/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.65

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
SCHEMBL4892870 1.00 MAOA (0.74) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5311001 0.91 MAOA (0.77) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4887870 0.91 MAOA (0.77) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4932517 0.89 MAOA (0.71) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4932519 0.89 MAOA (0.71) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL1556127 0.86 MAOA (0.77) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4901157 0.86 MAOA (0.80) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4893341 0.85 MAOA (1.00) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4902532 0.84 MAOA (0.86) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4890352 0.84 MAOA (0.76) MAOACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L MAOA 1143/4885CYP3A4 269/4885CYP2D6 84/4885

“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.