SCHEMBL3398460

SCHEMBL3398460

NC(=S)OCC1CN(c2ccc(N3CCN(C(=O)Cn4ccnn4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.57
MAOB P27338 5/20 0.57
KCNH2 Q12809 1/20 0.52
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 1/20 0.46
F10 P00742 1/20 0.46
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3398457 0.86 MAOA (0.59) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL3398134 0.86 MAOB (0.57) MAOAMAOBKCNH2F10LMNA
SCHEMBL3398462 0.85 MAOB (0.58) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL3398138 0.81 MAOA (0.51) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL3392614 0.81 MAOA (0.59) MAOAMAOBKCNH2F10LMNA
SCHEMBL5237076 0.80 MAOA (0.73) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL3396973 0.80 MAOA (0.60) MAOAMAOBF10LMNAPTGS1
SCHEMBL13357945 0.79 MAOA (0.63) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL13981045 0.79 MAOA (0.59) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL5237704 0.77 MAOA (0.70) MAOAMAOBKCNH2CYP3A4CYP2D6

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 MAOA 2174/4885MAOB 2054/4885KCNH2 4120/4885

“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.