SCHEMBL14067

SCHEMBL14067

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cccc(Cl)c3Cl)nc2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.39
DGAT2 Q96PD7 8/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MGAT2 Q10469 1/20 0.36
GRK5 P34947 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
MAPK14 Q16539 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK8 P49336 1/20 0.34
KCNH2 Q12809 1/20 0.33
GPR142 Q7Z601 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL14207 0.94 DGAT2 (0.39) DGAT2PDCD1LG2CD274MGAT2GRK5
SCHEMBL13571 0.94 ALDH2 (0.39) ALDH2DGAT2PDCD1LG2CD274GRK5
SCHEMBL17354200 0.92 PDCD1LG2 (0.38) ALDH2DGAT2PDCD1LG2CD274GRK5
SCHEMBL13618 0.91 ALDH2 (0.40) ALDH2PDCD1LG2CD274GRK5KDR
SCHEMBL14074 0.91 DGAT2 (0.36) DGAT2MGAT2MEN1KMT2ALMNA
SCHEMBL14071 0.90 MEN1 (0.37) DGAT2GRK5MEN1KMT2ALMNA
SCHEMBL13789 0.90 ALDH2 (0.35) ALDH2PDCD1LG2CD274GRK5ABL1
SCHEMBL13729 0.88 KMT2A (0.36) ALDH2PDCD1LG2CD274GRK5MEN1
SCHEMBL13805 0.88 GCGR (0.36) ALDH2PDCD1LG2CD274GRK5MEN1
SCHEMBL17354159 0.87 CD274 (0.35) DGAT2PDCD1LG2CD274MGAT2GRK5

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 ALDH2 611/4885DGAT2 911/4885PDCD1LG2 3978/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH2 611/4885DGAT2 911/4885PDCD1LG2 3978/4885

“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.