SCHEMBL13637

SCHEMBL13637

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
IGF1R P08069 1/20 0.36
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
KDR P35968 3/20 0.35
ROCK2 O75116 3/20 0.35
FGFR1 P11362 2/20 0.35
LIMK1 P53667 2/20 0.35
LCK P06239 2/20 0.35
CDK1 P06493 2/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
FLT3 P36888 2/20 0.35
ROCK1 Q13464 2/20 0.35
AURKB Q96GD4 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL13728 0.94 KDR (0.34) LYNIKBKBCHUKIGF1RSYK
SCHEMBL17354145 0.93 HDAC3 (0.34) LYNIKBKBCHUKIGF1RSYK
SCHEMBL13760 0.93 LYN (0.33) LYNIKBKBCHUKIGF1RSYK
SCHEMBL13700 0.92 MC4R (0.35) LYNIKBKBCHUKIGF1RSYK
SCHEMBL14069 0.91 LYN (0.34) LYNIKBKBCHUKIGF1RSYK
SCHEMBL14850206 0.91 S1PR1 (0.38) LYNKDRROCK2FGFR1LIMK1
SCHEMBL14850210 0.90 LYN (0.33) LYNIKBKBCHUKIGF1RSYK
SCHEMBL13835 0.90 HTT (0.36) LYNIKBKBCHUKIGF1RSYK
SCHEMBL13768 0.89 CA12 (0.34) LYNIKBKBCHUKIGF1RSYK
SCHEMBL13849 0.89 S1PR1 (0.39) LYNIKBKBCHUKIGF1RSYK

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 LYN 3581/4885IKBKB 2574/4885CHUK 2953/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT LYN 3581/4885IKBKB 2574/4885CHUK 2953/4885

“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.