SCHEMBL463440

SCHEMBL463440

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(N3CCCC3=O)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
F10 P00742 15/20 0.45
CYP2E1 P05181 1/20 0.45
CNR2 P34972 1/20 0.38
PARP1 P09874 1/20 0.38

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 0.89 MAOA (0.60) MAOAF10CYP2E1
SCHEMBL463449 0.89 MAOA (0.51) MAOAF10CYP2E1CNR2PARP1
SCHEMBL463586 0.87 MAOA (0.48) MAOAF10CYP2E1
SCHEMBL463709 0.86 MAOA (0.49) MAOAF10CYP2E1
SCHEMBL463752 0.85 CYP2E1 (0.52) MAOAF10CYP2E1CNR2
SCHEMBL412766 0.83 F10 (0.40) F10CNR2PARP1
SCHEMBL463747 0.83 CYP2E1 (0.58) MAOAF10CYP2E1CNR2PARP1
SCHEMBL411145 0.82 F10 (0.48) MAOAF10CNR2PARP1
SCHEMBL14447143 0.79 MAOA (0.47) MAOAF10CYP2E1
SCHEMBL463748 0.77 MAOA (0.53) MAOAF10CYP2E1

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 853/4885F10 3187/4885CYP2E1 352/4885

“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.