SCHEMBL1034941

SCHEMBL1034941

O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(I)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAOA P21397 9/20 0.43
MAOB P27338 1/20 0.43
GRM2 Q14416 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL13151038 1.00 CALML3 (0.47) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL1036062 1.00 CALML3 (0.47) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL16701320 0.90 CALML3 (0.49) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL16701317 0.90 CALML3 (0.49) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL4574440 0.87 CALML3 (0.47) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL7537758 0.85 CALML3 (0.45) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL7537751 0.85 CALML3 (0.45) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL7537986 0.84 CALML3 (0.44) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL7538108 0.83 MAOA (0.47) CALML3CYP3A4CYP2D6MAOAMAOB
SCHEMBL3166083 0.83 GRM2 (0.58) CALML3MAOAMAOBGRM2CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442526-B1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP (US) 2023-01-04 EP disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
EP-3442526-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Melinta Subsidiary Corp. (US) 2019-02-20 EP disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
WO-2017200979-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA THERAPEUTICS, INC. (US) 2017-11-23 WO disclosed
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 EP disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 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-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 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
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 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 (9 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 CALML3 4062/4885CYP3A4 356/4885CYP2D6 139/4885
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones PCNA, PGC, SBDS CALML3 4667/4885CYP3A4 76/4885CYP2D6 94/4885
US-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 CALML3 4426/4885CYP3A4 14/4885CYP2D6 160/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR CALML3 4101/4885CYP3A4 320/4885CYP2D6 133/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 CALML3 4706/4885CYP3A4 62/4885CYP2D6 60/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A CALML3 2223/4885CYP3A4 1383/4885CYP2D6 1764/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 CALML3 4401/4885CYP3A4 957/4885CYP2D6 1856/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 CALML3 4401/4885CYP3A4 957/4885CYP2D6 1856/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 CALML3 4426/4885CYP3A4 14/4885CYP2D6 160/4885

“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.