SCHEMBL463449

SCHEMBL463449

O=C1O[C@@H](CNc2ccon2)CN1c1cc(F)c(-c2ccc(N3CCCC3=O)nc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.51
CYP2E1 P05181 1/20 0.49
F10 P00742 11/20 0.42
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAOB P27338 2/20 0.38
PARP1 P09874 1/20 0.37
CYP3A4 P08684 1/20 0.37
CALML3 P27482 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL463295 0.91 MAOA (0.60) MAOACYP2E1F10CYP2C19CYP2C9
SCHEMBL463747 0.90 CYP2E1 (0.58) MAOACYP2E1F10CYP2C19CYP2C9
SCHEMBL463748 0.89 MAOA (0.53) MAOACYP2E1F10CYP2C19CYP2C9
SCHEMBL463440 0.89 MAOA (0.47) MAOACYP2E1F10PARP1CNR2
SCHEMBL463290 0.88 MAOA (0.52) MAOACYP2E1F10CYP2C19CYP2C9
SCHEMBL2894839 0.85 MAOA (0.51) MAOACYP2E1CYP2C19CYP2C9MAOB
SCHEMBL412768 0.85 CYP2C19 (0.39) MAOAF10CYP2C19CYP2C9MAOB
SCHEMBL411592 0.84 CYP2C19 (0.52) MAOAF10CYP2C19CYP2C9MAOB
SCHEMBL463752 0.84 CYP2E1 (0.52) MAOACYP2E1F10CYP2C19CYP2C9
SCHEMBL2894852 0.81 MAOA (0.61) MAOACYP2E1CYP2C19CYP2C9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP MAOA 853/4885CYP2E1 352/4885F10 3187/4885

“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.