SCHEMBL13676

SCHEMBL13676

CN(C)CCN1CCN(c2ccc(NC(=O)Nc3ccn(CCCC(CCCNC(=N)N)NCCCN)c(=O)n3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3CA P42336 6/20 0.34
MTOR P42345 6/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
CA7 P43166 1/20 0.33
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL14850185 0.92 MAPT (0.34) MAPTTP53KDM4EALDH1A1PIK3CA
SCHEMBL14850184 0.91 DRD2 (0.33) ALDH1A1DRD2
SCHEMBL13753 0.91 JAK3 (0.35) MAPTTP53PIK3CAMTOR
SCHEMBL13665 0.89 CNR1 (0.35) MAPTTP53KDM4EALDH1A1PIK3CA
SCHEMBL14244 0.85 HDAC3 (0.35) MAPTTP53KDM4EALDH1A1CA2
SCHEMBL14165 0.83 ABL1 (0.35) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL17485857 0.82 HDAC3 (0.39) MAPT
SCHEMBL13908 0.82 HDAC3 (0.39) MAPT
SCHEMBL13870 0.81 EPHX2 (0.35) MAPTCA2CA1
SCHEMBL14853462 0.81 MAPT (0.32) MAPT

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 MAPT 4371/4885TP53 3023/4885KDM4E 4344/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MAPT 4371/4885TP53 3023/4885KDM4E 4344/4885

“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.