SCHEMBL13665

SCHEMBL13665

N=C(N)NCCCC(CCCn1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)nc1=O)NCCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 1/20 0.33
F7 P08709 1/20 0.33
HTT P42858 1/20 0.32
FLT3 P36888 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GFER P55789 1/20 0.32
TP53 P04637 4/20 0.31

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
SCHEMBL13753 0.93 JAK3 (0.35) MAPTNPC1RAB9AF2F7
SCHEMBL14850185 0.89 MAPT (0.34) MAPTSMN1; SMN2ALDH1A1LMNAF2
SCHEMBL13676 0.89 MAPT (0.34) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL14165 0.88 ABL1 (0.35) MAPTNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL13870 0.86 EPHX2 (0.35) MAPTKMT2A
SCHEMBL14244 0.86 HDAC3 (0.35) CNR1MAPTNPC1RAB9AGAA
SCHEMBL13608 0.85 RECQL (0.34) SMN1; SMN2CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL13908 0.84 HDAC3 (0.39) MAPTNPC1RAB9AFLT3KMT2A
SCHEMBL13633 0.84 FLT3 (0.38) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL17485857 0.84 HDAC3 (0.39) MAPTNPC1RAB9AFLT3KMT2A

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 4516/4885MAPT 4371/4885NPC1 985/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CNR1 4516/4885MAPT 4371/4885NPC1 985/4885

“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.