SCHEMBL13054591

SCHEMBL13054591

CCC(=O)OCOC(=O)N(C[C@H]1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
KCNH2 Q12809 2/20 0.39
MAOA P21397 9/20 0.37
CALML3 P27482 2/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
SDHA P31040 1/20 0.37
TOP2B Q02880 1/20 0.34
F10 P00742 3/20 0.33

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
SCHEMBL13081123 0.92 MAOB (0.38) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13054599 0.87 MAOB (0.38) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13081516 0.85 MAOB (0.37) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13054662 0.81 MAOA (0.57) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13054698 0.80 MAOA (0.48) MAOBKCNH2MAOACALML3LMNA
SCHEMBL3755655 0.80 KCNH2 (0.44) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13054665 0.80 KCNH2 (0.44) MAOBKCNH2MAOACALML3LMNA
SCHEMBL13054740 0.79 MAOB (0.59) MAOBMAOACALML3LMNAPTGS1
SCHEMBL13054702 0.78 MAOB (0.47) MAOBKCNH2MAOACALML3LMNA
SCHEMBL3755648 0.78 MAOA (0.45) MAOBKCNH2MAOACALML3LMNA

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-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 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-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP MAOB 2709/4885KCNH2 4604/4885MAOA 3034/4885

“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.