SCHEMBL13669

SCHEMBL13669

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(Cl)cc3Cl)nc2=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
GOT1 P17174 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
ALDH2 P05091 1/20 0.35
CHEK1 O14757 1/20 0.35
EPHX2 P34913 1/20 0.35
GCG P01275 1/20 0.34
GCGR P47871 2/20 0.34
HPGD P15428 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 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
SCHEMBL14149 0.95 ROCK2 (0.40) CNR1ROCK2ROCK1ALDH2EPHX2
SCHEMBL17354225 0.92 CNR1 (0.36) CNR1GOT1MEN1KMT2AROCK2
SCHEMBL14850227 0.92 CNR1 (0.41) CNR1MEN1KMT2AROCK2ROCK1
SCHEMBL14203 0.91 CNR1 (0.40) CNR1GOT1ROCK2ROCK1ALDH2
SCHEMBL14056 0.90 CNR1 (0.42) CNR1MEN1KMT2AROCK2ALDH2
SCHEMBL13805 0.90 GCGR (0.36) GOT1MEN1KMT2AALDH2GCG
SCHEMBL14022 0.89 RAF1 (0.38) GOT1ROCK2ROCK1ALDH2
SCHEMBL13729 0.88 KMT2A (0.36) MEN1KMT2AROCK2ROCK1ALDH2
SCHEMBL14010 0.88 ALDH2 (0.35) ALDH2CHEK1GCGGCGR
SCHEMBL17354207 0.87 ALDH2 (0.37) ROCK2ROCK1ALDH2CHEK1

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 CNR1 4516/4885GOT1 2573/4885TAAR1 4463/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CNR1 4516/4885GOT1 2573/4885TAAR1 4463/4885

“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.