SCHEMBL13833

SCHEMBL13833

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4cc(F)c(F)cc4[nH]3)nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
HDAC11 Q96DB2 1/20 0.35
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
VSIR Q9H7M9 1/20 0.32
GRK5 P34947 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
EGFR P00533 1/20 0.30
FLT1 P17948 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL13622 0.92 MC4R (0.35) HDAC11MC4RMC5RMC3RVSIR
SCHEMBL13834 0.89 BDKRB1 (0.35) HDAC11GRK5CD274
SCHEMBL13704 0.87 ROCK1 (0.41) MC4RMC5RMC3RVSIRPRKAA1
SCHEMBL13897 0.85 HDAC11 (0.34) HDAC11
SCHEMBL13793 0.82 MC4R (0.39) MC4RMC5RMC3RGRK5
SCHEMBL13875 0.82 PLK4 (0.34) PARP1MC4RMC5RMC3RVSIR
SCHEMBL13802 0.80 BDKRB1 (0.46) GRK5PRKAA1
SCHEMBL14853493 0.78 HDAC11 (0.33) HDAC11
SCHEMBL17354352 0.78 PLK4 (0.33) PARP1MC4RMC5RMC3RVSIR
SCHEMBL17354302 0.77 CHRM2 (0.39) PARP1MC4RMC5RMC3RVSIR

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 5 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-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-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 PARP1 1324/4885HDAC11 3364/4885MC4R 2989/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PARP1 1324/4885HDAC11 3364/4885MC4R 2989/4885

“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.