SCHEMBL14169

SCHEMBL14169

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
DGAT2 Q96PD7 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
GOT1 P17174 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
KDR P35968 3/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
NAMPT P43490 1/20 0.37
ABL1 P00519 3/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL17354141 0.88 KDR (0.36) EPHB4TEKKDRKITFLT3
SCHEMBL14147 0.87 KDR (0.38) KDRKITFLT3NAMPTABL1
SCHEMBL13999 0.86 KDR (0.43) KDRKITFLT3ABL1LCK
SCHEMBL13940 0.85 CHEK1 (0.39) MAPTKDRNAMPTRETCHEK1
SCHEMBL17354191 0.85 KDR (0.40) KDRKITFLT3LCKFYN
SCHEMBL13623 0.84 KDR (0.43) EPHB4TEKKDRFLT3RET
SCHEMBL14155 0.84 RET (0.43) KDRRET
SCHEMBL14161 0.84 CNR1 (0.35) MAPTKDRKITFLT3ABL1
SCHEMBL14850233 0.84 RET (0.32) KDRRETBTK
SCHEMBL14151 0.84 RET (0.34) KDRRETCHEK1BTK

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 EPHX2 3041/4885DGAT2 911/4885MAPT 4371/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EPHX2 3041/4885DGAT2 911/4885MAPT 4371/4885

“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.