SCHEMBL3397388

SCHEMBL3397388

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
MAOA P21397 5/20 0.57
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57
F10 P00742 9/20 0.56

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
SCHEMBL3397423 1.00 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3398269 0.93 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3398262 0.90 MAOB (0.63) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710198 0.88 F10 (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392799 0.88 F10 (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710201 0.88 F10 (0.62) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL3393702 0.87 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710437 0.87 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710394 0.87 MAOB (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707287 0.87 MAOB (0.64) 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 1 patent. 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 claimed

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.