SCHEMBL3183030

SCHEMBL3183030

CC(=O)NCC1CN(c2ccc(-c3ccc(NC(=O)NCCCn4ccnc4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.53
▸ MAOB P27338 2/20 0.49
▸ CALML3 P27482 4/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SDHA P31040 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ QPCT Q16769 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1394384 1.00 MAOA (0.53) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL1393463 0.90 MAOA (0.53) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL1393319 0.87 MAOA (0.57) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL1393760 0.86 CALML3 (0.62) MAOAMAOBCALML3CYP3A4LMNA
SCHEMBL1394830 0.85 MAOA (0.59) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL10259912 0.84 MAOA (0.56) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL1393297 0.84 MAOA (0.56) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL3179733 0.84 MAOA (0.56) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL1393699 0.84 CALML3 (0.57) MAOAMAOBCALML3CYP3A4LMNA
SCHEMBL14763076 0.83 MAOA (0.55) MAOAMAOBCALML3CYP3A4CYP2C9

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 1272/4885MAOB 1133/4885CALML3 4667/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 MAOA 824/4885MAOB 743/4885CALML3 4706/4885

“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.

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