SCHEMBL13608

SCHEMBL13608

N=C(N)NCCC[C@@H](CCCn1ccc(NC(=O)Nc2ccc(F)c(F)c2)nc1=O)NCCCN

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR3 P51677 1/20 0.33
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNJ6 P48051 2/20 0.30
KCNJ5 P48544 2/20 0.30
KCNJ3 P48549 2/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL14165 0.92 ABL1 (0.35) SMN1; SMN2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL14054 0.90 ABL1 (0.30) ABL1RIN1
SCHEMBL13870 0.88 EPHX2 (0.35) CCR3NAMPTMEN1KMT2A
SCHEMBL14244 0.87 HDAC3 (0.35) SMN1; SMN2CCR3MEN1CYP1A2CYP3A4
SCHEMBL14091 0.87 NPC1 (0.35) RECQLSMN1; SMN2MEN1KMT2AABL1
SCHEMBL14853462 0.86 MAPT (0.32) ABL1RIN1
SCHEMBL13740 0.86 MAPT (0.32) ABL1RIN1
SCHEMBL13665 0.85 CNR1 (0.35) SMN1; SMN2CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL14853461 0.84 MAPT (0.41) ABL1RIN1
SCHEMBL13753 0.84 JAK3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (2 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT RECQL 1967/4885SMN1; SMN2 3979/4885CCR3 1671/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RECQL 1967/4885SMN1; SMN2 3979/4885CCR3 1671/4885

“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.