SCHEMBL3198377

SCHEMBL3198377

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(COC3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.66
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.53

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
SCHEMBL3198364 1.00 MAOA (0.66) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3198387 1.00 MAOA (0.66) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3198375 1.00 MAOA (0.66) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL13484629 0.92 MAOA (0.55) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3194183 0.90 CALML3 (0.50) MAOACYP3A4CYP2C9
SCHEMBL13484649 0.90 CALML3 (0.50) MAOACYP3A4CYP2C9
SCHEMBL13484630 0.90 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL3205880 0.86 MAOA (0.48) MAOACYP3A4
SCHEMBL3205876 0.86 MAOA (0.48) MAOACYP3A4
SCHEMBL3203213 0.83 CHRM1 (0.55) MAOACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254892-B1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-04-23 EP claimed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US claimed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 US claimed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US disclosed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 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-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES O60361, OXA1L, TBCD MAOA 2050/4885CYP3A4 564/4885CYP2D6 787/4885

“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.