SCHEMBL13847

SCHEMBL13847

NCCCN(Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1)Cc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.35
EGFR P00533 5/20 0.35
FGFR1 P11362 4/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
IDH2 P48735 2/20 0.34
HDAC1 Q13547 1/20 0.33
IGF1R P08069 1/20 0.32
DGAT1 O75907 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ATR Q13535 1/20 0.32
P2RY1 P47900 1/20 0.31
CTSA P10619 1/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.31
NAMPT P43490 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL13589 0.90 KDR (0.40) KDREGFRFGFR1KITFLT3
SCHEMBL14850207 0.90 NAMPT (0.39) KDREGFRFGFR1KITFLT3
SCHEMBL19719277 0.89 CTSA (0.31) CTSA
SCHEMBL14850205 0.89 KDR (0.36) KDREGFRFGFR1KITFLT3
SCHEMBL13975 0.88 KDR (0.38) KDREGFRFGFR1KITFLT3
SCHEMBL13963 0.88 KDR (0.38) KDREGFRFGFR1KITFLT3
SCHEMBL14305 0.87 IDH2 (0.38) KDRKITFLT3IDH2HDAC1
SCHEMBL14850201 0.87 IDH2 (0.38) KDRKITFLT3IDH2HDAC1
SCHEMBL14251 0.86 KDR (0.34) KDREGFRFGFR1KITFLT3
SCHEMBL14171 0.86 NAMPT (0.38) KDREGFRFGFR1KITFLT3

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 KDR 4838/4885EGFR 4722/4885FGFR1 4866/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885EGFR 4722/4885FGFR1 4866/4885

“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.