SCHEMBL13998945

SCHEMBL13998945

O=C(NC[C@H]1CN(c2ccc(N3CC[S+]([O-])CC3)c(F)c2)C(=O)O1)C1=CCC(Cl)S1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.58
MAOB P27338 4/20 0.55
MAOA P21397 2/20 0.55
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
CALML3 P27482 1/20 0.54
SDHA P31040 1/20 0.54

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
SCHEMBL13102671 0.90 F10 (0.70) F10MAOBMAOALMNAPTGS1
SCHEMBL92950 0.85 F10 (0.71) F10MAOBMAOA
SCHEMBL78885 0.83 F10 (0.83) F10
SCHEMBL5220160 0.83 MAOB (0.65) F10MAOBMAOALMNAPTGS1
SCHEMBL5221998 0.82 MAOA (0.78) F10MAOBMAOALMNAPTGS1
SCHEMBL6058550 0.82 MAOA (0.78) F10MAOBMAOALMNAPTGS1
SCHEMBL14477113 0.82 F10 (0.56) F10MAOBMAOA
SCHEMBL14641457 0.82 F10 (0.67) F10MAOBMAOA
SCHEMBL13103180 0.82 F10 (0.67) F10MAOBMAOA
SCHEMBL18410477 0.81 MAOB (0.78) F10MAOBMAOALMNAPTGS1

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-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders BAYER HEALTHCARE AG 2008-12-11 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-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders OTC, SDHA, SDHB F10 258/4885MAOB 81/4885MAOA 195/4885

“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.