SCHEMBL6502558

SCHEMBL6502558

N#CC1C2C=C(c3ccc(N4C[C@H](CNC(=S)CCC(=S)NC[C@H]5CN(c6ccc(C7=CC8C(C#N)C8C7)nc6)C(=O)O5)OC4=O)cc3)CC12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34
ABCB11 O95342 1/20 0.34

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
SCHEMBL6336363 0.88 MAOA (0.41) F10MAOAMAOBLMNAPTGS1
SCHEMBL6335891 0.86 MAOA (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6337001 0.84 MAOA (0.43) F10MAOAMAOBLMNAPTGS1
SCHEMBL6335763 0.81 MAOA (0.50) F10MAOAMAOBLMNAPTGS1
SCHEMBL6348267 0.81 MAOA (0.50) F10MAOAMAOBLMNAPTGS1
SCHEMBL6335767 0.81 MAOA (0.50) F10MAOAMAOBLMNAPTGS1
SCHEMBL6425567 0.78 MAOA (0.35) F10MAOAMAOBLMNAPTGS1
SCHEMBL6767679 0.75 GRM2 (0.40) F10CALML3
SCHEMBL6337532 0.74 CETP (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL6423688 0.73 MAOA (0.37) F10MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 US 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-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR F10 3573/4885ITGB3 1750/4885ITGA2B 2574/4885

“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.