SCHEMBL5422795

SCHEMBL5422795

CC(=S)NC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.69
MAOB P27338 8/20 0.68
MAOA P21397 4/20 0.68
PTGS1 P23219 2/20 0.68
SDHA P31040 2/20 0.68
LMNA P02545 1/20 0.68
CALML3 P27482 1/20 0.68

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
SCHEMBL5422798 1.00 F10 (0.69) F10MAOBMAOAPTGS1SDHA
SCHEMBL3394102 0.92 F10 (0.67) F10MAOBMAOAPTGS1SDHA
SCHEMBL1894257 0.92 MAOA (0.80) F10MAOBMAOAPTGS1SDHA
SCHEMBL3394607 0.92 F10 (0.69) F10MAOBMAOAPTGS1SDHA
SCHEMBL1498511 0.92 MAOA (0.80) F10MAOBMAOAPTGS1SDHA
SCHEMBL3394605 0.92 F10 (0.69) F10MAOBMAOAPTGS1SDHA
SCHEMBL2088399 0.92 F10 (0.66) F10MAOBMAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL4689047 0.91 MAOA (0.79) F10MAOBMAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL4689051 0.91 MAOA (0.79) F10MAOBMAOAPTGS1SDHA
SCHEMBL2088561 0.91 F10 (0.68) F10MAOBMAOAPTGS1SDHA

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 3 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 disclosed
US-7217726-B2 Antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-05-15 US disclosed
US-20050070526-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-03-31 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 (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 F10 3546/4885MAOB 1771/4885MAOA 1590/4885
US-20050070526-A1 Novel antibacterial agents TBCD, OXA1L, ALPI F10 3546/4885MAOB 1771/4885MAOA 1590/4885

“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.