SCHEMBL463586

SCHEMBL463586

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
F10 P00742 14/20 0.45
CYP2E1 P05181 1/20 0.44
ABCB11 O95342 1/20 0.36
F2 P00734 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36

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
SCHEMBL463294 0.89 MAOA (0.60) MAOACYP2E1
SCHEMBL463290 0.88 MAOA (0.52) MAOAF10CYP2E1
SCHEMBL463440 0.87 MAOA (0.47) MAOAF10CYP2E1
SCHEMBL463709 0.87 MAOA (0.49) MAOAF10CYP2E1ITGB3ITGA2B
SCHEMBL463412 0.84 CYP2E1 (0.51) MAOAF10CYP2E1
SCHEMBL411075 0.83 GRM2 (0.41) F10
SCHEMBL463336 0.83 CYP2E1 (0.57) MAOAF10CYP2E1
SCHEMBL469773 0.82 MAOA (0.53) MAOACYP2E1
SCHEMBL411144 0.82 F10 (0.48) MAOAF10
SCHEMBL14447143 0.79 MAOA (0.47) MAOAF10CYP2E1ABCB11ITGB3

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.