SCHEMBL13805

SCHEMBL13805

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(Cl)cc3Cl)nc2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
KDR P35968 2/20 0.36
GOT1 P17174 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
BLK P51451 1/20 0.35
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL13703 0.94 LYN (0.39) GCGRKDRABL1NTRK1LCK
SCHEMBL13729 0.94 KMT2A (0.36) GCGRKDRABL1NTRK1LCK
SCHEMBL17354277 0.92 POLB (0.40) KDRNTRK1KITFLT3MAPT
SCHEMBL13789 0.92 ALDH2 (0.35) KDRABL1NTRK1LCKFYN
SCHEMBL14149 0.91 ROCK2 (0.40) GCGRALDH2GCG
SCHEMBL13754 0.91 IGF1R (0.40) KDRABL1NTRK1LCKFYN
SCHEMBL14010 0.90 ALDH2 (0.35) GCGRKDRALDH2GRK5GCG
SCHEMBL13586 0.90 MAPT (0.44) KDRTEKLYNKITSRC
SCHEMBL14008 0.90 ALDH2 (0.33) KDRABL1NTRK1LCKFYN
SCHEMBL13669 0.90 CNR1 (0.45) GCGRGOT1KMT2AMEN1ALDH2

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 GCGR 4579/4885KDR 4838/4885GOT1 2573/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT GCGR 4579/4885KDR 4838/4885GOT1 2573/4885

“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.