SCHEMBL13774

SCHEMBL13774

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.36
RORC P51449 7/20 0.36
NAMPT P43490 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
IGF1R P08069 2/20 0.34
ABL1 P00519 1/20 0.33
IDH1 O75874 1/20 0.33
P2RY1 P47900 1/20 0.33
EPHX2 P34913 2/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
LYN P07948 1/20 0.32
SYK P43405 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 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
SCHEMBL13677 0.92 IDH1 (0.37) IDH2RORCNAMPTKITKDR
SCHEMBL13749 0.91 KDR (0.42) IDH2RORCNAMPTKITKDR
SCHEMBL17486573 0.90 IGF1R (0.35) MC4RMC5RMC3RIGF1R
SCHEMBL13687 0.88 IDH2 (0.39) IDH2RORCNAMPTKITKDR
SCHEMBL14147 0.87 KDR (0.38) IDH2RORCNAMPTKITKDR
SCHEMBL17354368 0.86 MC4R (0.37) KDRMC4RMC5RMC3R
SCHEMBL14850252 0.85 KDR (0.39) IDH2RORCNAMPTKITKDR
SCHEMBL14850192 0.85 KDR (0.41) IDH2RORCNAMPTKITKDR
SCHEMBL13706 0.85 KIT (0.38) IDH2RORCNAMPTKITKDR
SCHEMBL13700 0.84 MC4R (0.35) MC4RMC5RMC3RIGF1RIKBKB

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-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-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 IDH2 3459/4885RORC 2712/4885NAMPT 247/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IDH2 3459/4885RORC 2712/4885NAMPT 247/4885

“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.