SCHEMBL3176599

SCHEMBL3176599

CC(=O)NCC1CN(c2ccc(-c3ccc(CNCC(N)=O)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.59
CALML3 P27482 7/20 0.56
MAOB P27338 2/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.56
SDHA P31040 1/20 0.56
F10 P00742 1/20 0.48

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
SCHEMBL3176596 1.00 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14432606 0.92 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5727930 0.92 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3165893 0.92 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3165898 0.92 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4175311 0.91 CALML3 (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4175307 0.91 CALML3 (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14432607 0.91 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023342 0.91 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023347 0.91 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 EP disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 US disclosed
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones MELINTA SUBSIDIARY CORP. 2013-03-14 US disclosed
US-8324398-B2 Process for the synthesis of biaryl oxazolidinones RIB-X PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES RIB-X PHARMACEUTICALS, INC. (US) 2010-01-28 US disclosed
EP-1660465-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES Rib-X Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
WO-2005012271-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 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 (2 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-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones PCNA, PGC, SBDS MAOA 1272/4885CALML3 4667/4885MAOB 1133/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 MAOA 824/4885CALML3 4706/4885MAOB 743/4885

“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.