SCHEMBL3392613

SCHEMBL3392613

CO/N=C(/N)c1ccc(C(=O)N2CCN(c3ccc(N4C[C@@H](COC(N)=S)OC4=O)cc3F)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 10/20 0.44
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 6/20 0.39
TOP2B Q02880 1/20 0.38

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
SCHEMBL3394931 0.89 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3394934 0.79 MAOB (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3390779 0.78 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3397391 0.77 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3394843 0.76 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3396973 0.76 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3398585 0.76 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3395634 0.75 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3394910 0.75 MAOB (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3394992 0.74 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3

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 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 MAOA 2174/4885MAOB 2054/4885LMNA 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.