SCHEMBL5412342

SCHEMBL5412342

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=S)c4nnco4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.66
MAOA P21397 5/20 0.66
PTGS1 P23219 2/20 0.66
SDHA P31040 2/20 0.66
LMNA P02545 1/20 0.66
CALML3 P27482 1/20 0.66
F10 P00742 7/20 0.52
TOP2B Q02880 1/20 0.51

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
SCHEMBL5412351 1.00 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5418680 0.95 MAOB (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5418676 0.95 MAOB (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5419067 0.88 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5419060 0.88 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5409180 0.88 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5421848 0.88 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5421853 0.88 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5409184 0.88 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8595990 0.88 MAOB (0.71) MAOBMAOAPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 US claimed
EP-1578734-A1 NOVEL ANTIBACTERIAL AGENTS Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-09-28 EP claimed
US-20050070526-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-03-31 US claimed
WO-2004018439-A1 NOVEL ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-03-04 WO claimed
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 US disclosed
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 US disclosed
EP-1578734-A1 NOVEL ANTIBACTERIAL AGENTS Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-09-28 EP disclosed
US-20050070526-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-03-31 US disclosed
WO-2004018439-A1 NOVEL ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-03-04 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 (2 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-20070167414-A1 Novel antibacterial agents TBCD, OXA1L, ALPI MAOB 1771/4885MAOA 1590/4885PTGS1 2876/4885
US-20050070526-A1 Novel antibacterial agents TBCD, OXA1L, ALPI MAOB 1771/4885MAOA 1590/4885PTGS1 2876/4885

“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.