SCHEMBL13702

SCHEMBL13702

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(F)cc3)nc2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38
CHEK1 O14757 1/20 0.37
FPR2 P25090 1/20 0.36
EPHX2 P34913 3/20 0.35
NAMPT P43490 1/20 0.35
PRMT3 O60678 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KMT2A Q03164 2/20 0.33
SLC6A5 Q9Y345 1/20 0.33
LTA4H P09960 1/20 0.33
MET P08581 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 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
SCHEMBL17354218 0.94 CA2 (0.38) CA2CA9MAPTNPC1RAB9A
SCHEMBL14850227 0.94 CNR1 (0.41) CA2CA9MAPTNPC1RAB9A
SCHEMBL13945 0.93 CYP3A4 (0.39) NPC1RAB9ACHEK1NAMPTPRMT3
SCHEMBL14022 0.91 RAF1 (0.38) CA2MAPTROCK2ROCK1SLC6A5
SCHEMBL17354186 0.89 RAF1 (0.36) CNR1
SCHEMBL14056 0.88 CNR1 (0.42) MAPTNPC1RAB9ACNR1ROCK2
SCHEMBL17354196 0.88 CNR1 (0.41) MAPTNPC1RAB9ACNR1ROCK2
SCHEMBL14167 0.88 RET (0.34) NAMPTROCK2
SCHEMBL13669 0.87 CNR1 (0.45) CNR1CHEK1EPHX2ROCK2ROCK1
SCHEMBL14203 0.87 CNR1 (0.40) CNR1CHEK1ROCK2ROCK1

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 CA2 3230/4885CA9 2937/4885MAPT 4371/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CA2 3230/4885CA9 2937/4885MAPT 4371/4885

“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.