SCHEMBL1393964

SCHEMBL1393964

CC(=O)[C@@H](N)C1CN(c2ccc(-c3ccc(CNC(=O)/C=C/c4ccc(=O)n(C)c4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 6/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAOA P21397 7/20 0.36
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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 0.87 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL10261447 0.86 MAOA (0.51) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393967 0.86 MAOA (0.51) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393279 0.86 CALML3 (0.38) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393869 0.85 CALML3 (0.39) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393858 0.85 NAMPT (0.46) CALML3CYP2C19CYP3A4MAOA
SCHEMBL1394112 0.84 CALML3 (0.41) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393576 0.82 CALML3 (0.39) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393678 0.79 CYP2C19 (0.37) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL1393917 0.79 CYP2C19 (0.37) CALML3CYP2C19CYP3A4MAOAMAOB

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 8 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
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 — — EP 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-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CALML3 3842/4885CYP2C19 1321/4885CYP3A4 793/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CALML3 3842/4885CYP2C19 1321/4885CYP3A4 793/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF CALML3 3842/4885CYP2C19 1321/4885CYP3A4 793/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 CALML3 4401/4885CYP2C19 158/4885CYP3A4 957/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 CALML3 4401/4885CYP2C19 158/4885CYP3A4 957/4885

“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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