SCHEMBL463294

SCHEMBL463294

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.60
CALML3 P27482 6/20 0.48
MAOB P27338 2/20 0.48
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL469773 0.94 MAOA (0.53) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL463290 0.91 MAOA (0.52) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL463398 0.89 MAOA (0.60) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL12964763 0.89 MAOA (0.61) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL15830322 0.89 MAOA (0.61) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL463586 0.89 MAOA (0.48) MAOACYP2E1
SCHEMBL463295 0.89 MAOA (0.60) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL12964777 0.87 MAOA (0.58) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL15830205 0.87 MAOA (0.58) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL463412 0.87 CYP2E1 (0.51) MAOACALML3MAOBCYP2C19CYP2C9

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 853/4885CALML3 1652/4885MAOB 427/4885

“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.