SCHEMBL3179763

SCHEMBL3179763

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.56
▸ CALML3 P27482 6/20 0.53
▸ MAOB P27338 2/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ SDHA P31040 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL6023183 1.00 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13528677 1.00 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3179758 1.00 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3166255 0.88 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6024297 0.88 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3166248 0.88 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
Hydrochloric Acid SCHEMBL30061895 0.87 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL12075717 0.87 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL10259730 0.87 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394041 0.87 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA

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 10 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
US-7129259-B2 Halogenated biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-10-31 — — US disclosed
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same CHEN SHILI 2006-07-06 — — US disclosed
EP-1660465-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES Rib-X Pharmaceuticals, Inc. (US) 2006-05-31 — — EP disclosed
US-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-07-14 — — US 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 (4 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-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PROKR1, PROKR2, PCNA MAOA 1365/4885CALML3 4062/4885MAOB 1682/4885
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones PCNA, PGC, SBDS MAOA 1272/4885CALML3 4667/4885MAOB 1133/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR MAOA 1171/4885CALML3 4101/4885MAOB 1454/4885
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.

Send feedback