SCHEMBL3394696

SCHEMBL3394696

CSC(=O)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cnccc4N)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
MAOA P21397 5/20 0.42
CALML3 P27482 2/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
SDHA P31040 1/20 0.40
F10 P00742 5/20 0.38
SLC6A5 Q9Y345 1/20 0.37
TOP2B Q02880 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3394517 0.88 MAOB (0.43) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3392806 0.86 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3397716 0.84 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3396416 0.83 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394642 0.83 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394691 0.83 MAOB (0.54) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3419157 0.82 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3396451 0.82 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3395834 0.82 MAOB (0.46) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3395592 0.82 MAOB (0.46) MAOBMAOACALML3LMNAPTGS1

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 2174/4885CALML3 4506/4885

“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.