SCHEMBL5419585

SCHEMBL5419585

CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=S)c4cnc5ccccc5c4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.55
▸ MAOA P21397 4/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ CALML3 P27482 1/20 0.55
▸ SDHA P31040 1/20 0.55
▸ F10 P00742 8/20 0.49

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
SCHEMBL5419591 1.00 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14448243 0.89 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395114 0.88 MAOB (0.52) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5414455 0.87 MAOB (0.63) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5414449 0.87 MAOB (0.63) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5420099 0.86 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5420106 0.86 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5414498 0.85 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5414491 0.85 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14505223 0.83 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 — — US claimed
US-20050070526-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-03-31 — — US claimed
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 — — US disclosed
US-20070167414-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-07-19 — — US disclosed
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
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 — — 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 1590/4885LMNA 3622/4885
US-20050070526-A1 Novel antibacterial agents TBCD, OXA1L, ALPI MAOB 1771/4885MAOA 1590/4885LMNA 3622/4885

“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.

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