SCHEMBL13730

SCHEMBL13730

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.34
S1PR1 P21453 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
LYN P07948 1/20 0.32
IGF1R P08069 1/20 0.32
SYK P43405 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
KMT2A Q03164 1/20 0.31
RET P07949 4/20 0.31
KDR P35968 4/20 0.31
ROCK1 Q13464 1/20 0.31
MYLK4 Q86YV6 1/20 0.31

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
SCHEMBL17354305 0.93 S1PR1 (0.35) FLT3S1PR1IKBKBCHUKLYN
SCHEMBL13751 0.90 LYN (0.34) FLT3IKBKBCHUKLYNIGF1R
SCHEMBL13792 0.89 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL17354151 0.88 S1PR1 (0.39) FLT3S1PR1MEN1KMT2AKDR
SCHEMBL13780 0.87 LYN (0.33) FLT3IKBKBCHUKLYNIGF1R
SCHEMBL14275 0.87 DGAT2 (0.36) MEN1KMT2A
SCHEMBL14850202 0.86 HPSE (0.34) FLT3IKBKBCHUKLYNIGF1R
SCHEMBL14124 0.86 HPSE (0.34) FLT3IKBKBCHUKLYNIGF1R
SCHEMBL17354140 0.86 S1PR1 (0.36) FLT3S1PR1IKBKBCHUKLYN
SCHEMBL17486554 0.86 P2RY1 (0.35) FLT3S1PR1IGF1RRETKDR

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 FLT3 3005/4885S1PR1 3139/4885IKBKB 2574/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FLT3 3005/4885S1PR1 3139/4885IKBKB 2574/4885

“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.