SCHEMBL13678

SCHEMBL13678

NCCCN(CCCN)Cc1c(F)cc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.38
KDR P35968 4/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
ABL1 P00519 1/20 0.34
DGAT1 O75907 1/20 0.32
ATR Q13535 1/20 0.32
EPHX2 P34913 1/20 0.32
DHODH Q02127 1/20 0.32
CXCR2 P25025 1/20 0.32
IDH1 O75874 1/20 0.32
EGFR P00533 2/20 0.31
FGFR1 P11362 2/20 0.31
P2RY1 P47900 2/20 0.31
KCNH2 Q12809 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 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
SCHEMBL14123 0.91 IDH2 (0.37) IDH2KDRKITFLT3ABL1
SCHEMBL19719288 0.90 KDM4E (0.34) IDH2KDRKITFLT3ABL1
SCHEMBL13589 0.89 KDR (0.40) IDH2KDRKITFLT3ABL1
SCHEMBL13975 0.87 KDR (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL13687 0.87 IDH2 (0.39) IDH2KDRKITFLT3ABL1
SCHEMBL17354160 0.86 NPSR1 (0.35) KDRKITFLT3CD274MAPT
SCHEMBL13963 0.86 KDR (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL14305 0.86 IDH2 (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL14850201 0.86 IDH2 (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL14850207 0.84 NAMPT (0.39) IDH2KDRKITFLT3ABL1

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 IDH2 3459/4885KDR 4838/4885KIT 3949/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IDH2 3459/4885KDR 4838/4885KIT 3949/4885

“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.