SCHEMBL13755

SCHEMBL13755

N=C(N)NCCCNCc1c[nH]c(NC(=O)Nc2ccccc2OC(F)(F)F)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
NTRK1 P04629 1/20 0.35
CXCR2 P25025 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
IDH2 P48735 1/20 0.33
GOT1 P17174 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
P2RY1 P47900 3/20 0.33
ABL1 P00519 1/20 0.33
IDH1 O75874 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STING1 Q86WV6 1/20 0.33
DGAT1 O75907 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
SCHEMBL13748 0.88 KIT (0.40) NAMPTKITKDRFLT3IDH2
SCHEMBL13568 0.86 KDR (0.37) NAMPTKITKDRFLT3NTRK1
SCHEMBL14850123 0.85 MAPT (0.41) KDRMAPTMEN1KMT2A
SCHEMBL14850229 0.84 GAA (0.40) MAPTKMT2A
SCHEMBL14850215 0.83 KIT (0.41) NAMPTKITKDRFLT3NTRK1
SCHEMBL13857 0.82 ALDH1A1 (0.38) MAPTKMT2A
SCHEMBL14064 0.80 GAA (0.42) MAPT
SCHEMBL13626 0.79 FAAH (0.41) MAPT
SCHEMBL14009 0.79 CCR3 (0.40) P2RY1
SCHEMBL14021 0.79 FAAH (0.41) MAPT

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 6 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
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 (1 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NAMPT 247/4885KIT 3949/4885KDR 4838/4885

“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.