SCHEMBL1393956

SCHEMBL1393956

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

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.67
▸ CALML3 P27482 7/20 0.63
▸ MAOB P27338 2/20 0.63
▸ PTGS1 P23219 2/20 0.63
▸ SDHA P31040 2/20 0.63
▸ LMNA P02545 1/20 0.63

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
SCHEMBL10197443 1.00 MAOA (0.67) MAOACALML3MAOBPTGS1SDHA
SCHEMBL11983108 0.93 MAOA (0.66) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14432626 0.93 MAOA (0.66) MAOACALML3MAOBPTGS1SDHA
SCHEMBL19938053 0.93 MAOA (0.66) MAOACALML3MAOBPTGS1SDHA
SCHEMBL10197320 0.92 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13148658 0.92 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL4816294 0.92 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL10197257 0.92 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3088861 0.92 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394150 0.92 MAOA (0.65) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536783-A Solvent-free, acrylic hybrid polyurethane resins, methods of making, compositions containing, and methods of making and using 广州秀珀化工涂料有限公司 2022-12-30 — — CN 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-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-8362300-B2 Addition compounds suitable as dispersants and dispersion stabilizers BYK-CHEMIE GMBH (DE) 2013-01-29 — — US disclosed
EP-2492264-A2 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same Rib-X Pharmaceuticals, Inc. (US) 2012-08-29 — — EP disclosed
EP-1656370-B1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB X PHARMACEUTICALS INC (US) 2012-08-15 — — EP 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-20050250927-A1 Addition compounds suitable as dispersants and dispersion stabilizers BYK-CHEMIE GMBH 2005-11-10 — — US disclosed
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-09-15 — — US disclosed
WO-2005070904-A2 SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICAL, INC. (US) 2005-08-04 — — WO 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-2005061468-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-07-07 — — WO disclosed
WO-2005019211-A2 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-03-03 — — WO disclosed
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-02-24 — — US disclosed
WO-2005012270-A2 BIARYL HETEROCYCLIC AMINES, AMIDES, AND SULFUR-CONTAINING COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 — — WO disclosed
EP-1497257-A1 2,5-BIS-DIAMINE-[1,4] BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE, A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR Alma Mater Studiorum -Universita' di Bologna (IT) 2005-01-19 — — EP disclosed
WO-2003087035-A1 2,5-BIS-DIAMINE-'1,4! BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2003-10-23 — — 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 (7 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-20100234591-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-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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