SCHEMBL3396464

SCHEMBL3396464

COC(=S)NCC1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.60
MAOA P21397 5/20 0.60
LMNA P02545 1/20 0.60
PTGS1 P23219 1/20 0.60
CALML3 P27482 1/20 0.60
SDHA P31040 1/20 0.60
F10 P00742 11/20 0.55

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
SCHEMBL3394709 1.00 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14310688 0.94 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7847412 0.93 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7847416 0.93 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707287 0.93 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707286 0.93 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2088355 0.92 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8577685 0.91 MAOB (0.73) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5412018 0.91 MAOB (0.73) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2089876 0.91 MAOB (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US disclosed
EP-2170874-A2 NOVEL COMPOUNDS AND THEIR USE Orchid Research Laboratories Limited (IN) 2010-04-07 EP disclosed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 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 (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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP MAOB 2054/4885MAOA 2174/4885LMNA 2167/4885

“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.