SCHEMBL1393858

SCHEMBL1393858

CC(=O)[C@@H](N)C1CN(c2ccc(-c3ccc(CNC(=O)/C=C/c4cccnc4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.46
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ NCOR2 Q9Y618 2/20 0.46
▸ NCOR1 O75376 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CALML3 P27482 4/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ MAOA P21397 1/20 0.40

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
SCHEMBL1393794 0.92 CALML3 (0.44) CALML3CYP3A4CYP2C19MAOA
SCHEMBL1393861 0.87 MAOA (0.52) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL10196505 0.87 MAOA (0.52) NAMPTHDAC1HDAC3HDAC2HDAC4
SCHEMBL1393964 0.85 CALML3 (0.39) CALML3CYP3A4CYP2C19MAOA
SCHEMBL1395003 0.85 CALML3 (0.46) CALML3CYP3A4CYP2D6CYP2C19MAOA
SCHEMBL1393638 0.85 CALML3 (0.46) CALML3CYP3A4CYP2D6CYP2C19MAOA
SCHEMBL1394112 0.85 CALML3 (0.41) CALML3CYP3A4CYP2C19MAOA
SCHEMBL1393869 0.83 CALML3 (0.39) CALML3CYP3A4CYP2C19MAOA
SCHEMBL1393576 0.82 CALML3 (0.39) CALML3CYP3A4CYP2C19MAOA
SCHEMBL1394717 0.82 CALML3 (0.45) CALML3CYP3A4CYP2D6CYP2C19MAOA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 — — 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
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 — — 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-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 (10 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 NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 NAMPT 1445/4885HDAC1 425/4885HDAC3 848/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 NAMPT 1445/4885HDAC1 425/4885HDAC3 848/4885
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF NAMPT 527/4885HDAC1 209/4885HDAC3 528/4885

“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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