SCHEMBL463249

SCHEMBL463249

COC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCNC4=O)nc3)c(F)c2F)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.41
F10 P00742 6/20 0.40
CETP P11597 6/20 0.40
MAOA P21397 4/20 0.40
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
KCNH2 Q12809 1/20 0.37

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
SCHEMBL463353 0.88 F10 (0.44) F10CETPMAOAMAOBLMNA
SCHEMBL463275 0.87 F10 (0.40) F10CETPMAOAMAOBLMNA
SCHEMBL463248 0.87 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL463740 0.87 CALML3 (0.51) MAOAMAOBCALML3
SCHEMBL463256 0.87 F10 (0.38) F10CETPMAOAMAOBLMNA
SCHEMBL412794 0.87 TDO2 (0.46) TDO2MAOAMAOBCALML3
SCHEMBL412753 0.86 CALML3 (0.48) TDO2MAOAMAOBCALML3
SCHEMBL463252 0.86 CETP (0.38) F10CETPMAOAMAOBLMNA
SCHEMBL463337 0.83 CYP2E1 (0.52) TDO2F10CETPMAOAMAOB
SCHEMBL412646 0.82 TDO2 (0.42) TDO2CETPMAOAMAOBCALML3

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 TDO2 183/4885F10 3187/4885CETP 2549/4885

“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.