SCHEMBL1393833

SCHEMBL1393833

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(Cc4c[nH]cn4)C(N)=O)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.51
▸ CALML3 P27482 6/20 0.46
▸ MAOB P27338 3/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ SDHA P31040 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL1393910 1.00 MAOA (0.51) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393832 0.88 CYP2C19 (0.39) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL14444664 0.87 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14432631 0.87 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL18402977 0.86 MAOA (0.35) MAOACALML3MAOBPTGS1SDHA
SCHEMBL10258024 0.86 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393473 0.86 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14432524 0.86 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14432544 0.86 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393709 0.85 MAOA (0.54) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 — — EP disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
WO-2016077818-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA THERAPEUTICS, INC. (US) 2016-05-19 — — WO disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — US disclosed
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 — — US disclosed
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2009-05-07 — — US disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed
US-7148219-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-12-12 — — US disclosed
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2006-11-23 — — US disclosed
US-6969726-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-11-29 — — US disclosed
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-09-15 — — US disclosed
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-02-24 — — US 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 (8 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-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885MAOB 994/4885

“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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