SCHEMBL13703

SCHEMBL13703

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(Cl)cc3F)nc2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.39
FLT3 P36888 2/20 0.39
KDR P35968 2/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
BLK P51451 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL13805 0.94 GCGR (0.36) LYNFLT3KDRABL1NTRK1
SCHEMBL13729 0.93 KMT2A (0.36) LYNFLT3KDRABL1NTRK1
SCHEMBL17354289 0.90 KDR (0.41) LYNFLT3KDRABL1NTRK1
SCHEMBL13860 0.90 CA12 (0.34) LYNFLT3KDRABL1NTRK1
SCHEMBL13768 0.90 CA12 (0.34) LYNFLT3KDRABL1NTRK1
SCHEMBL13789 0.89 ALDH2 (0.35) LYNFLT3KDRABL1NTRK1
SCHEMBL14161 0.89 CNR1 (0.35) LYNFLT3KDRABL1NTRK1
SCHEMBL14149 0.89 ROCK2 (0.40) GCGRROCK2ROCK1BDKRB1
SCHEMBL17354277 0.88 POLB (0.40) FLT3KDRNTRK1KITMEN1
SCHEMBL14010 0.88 ALDH2 (0.35) KDRCA12CA1CA2CA9

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 LYN 3581/4885FLT3 3005/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT LYN 3581/4885FLT3 3005/4885KDR 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.