SCHEMBL13793

SCHEMBL13793

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4ccccc4[nH]3)nc2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
LMNA P02545 3/20 0.36
MC1R Q01726 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 3/20 0.34
HDAC1 Q13547 1/20 0.34
SLC2A1 P11166 1/20 0.34
GRK5 P34947 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL13622 0.90 MC4R (0.35) MC4RMC5RMC3RGRK5
SCHEMBL13704 0.89 ROCK1 (0.41) MC4RMC5RMC3RCSNK2A2CSNK2B
SCHEMBL13802 0.85 BDKRB1 (0.46) LMNAMC1RNPC1RAB9AMEN1
SCHEMBL13833 0.82 PARP1 (0.35) MC4RMC5RMC3RGRK5
SCHEMBL13605 0.78 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL14176 0.76 ROCK1 (0.40) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL17354190 0.76 DRD2 (0.32) MC4RMC5RMC3RLMNANPC1
SCHEMBL13834 0.75 BDKRB1 (0.35) MC1RGRK5
SCHEMBL17354368 0.75 MC4R (0.37) MC4RMC5RMC3RLMNAMC1R
SCHEMBL13700 0.74 MC4R (0.35) MC4RMC5RMC3RMC1RHDAC1

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 MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885

“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.