SCHEMBL13753

SCHEMBL13753

CN1CCN(c2ccc(NC(=O)Nc3ccn(CCCC(CCCNC(=N)N)NCCCN)c(=O)n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.35
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
EGFR P00533 1/20 0.34
AURKA O14965 3/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
FLT3 P36888 4/20 0.33
KDR P35968 3/20 0.33
PIK3CA P42336 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MTOR P42345 2/20 0.33
TP53 P04637 2/20 0.33
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
SCHEMBL13665 0.93 CNR1 (0.35) F2F7FLT3PIK3CANPC1
SCHEMBL14850185 0.91 MAPT (0.34) F2F7PIK3CAMTORTP53
SCHEMBL13676 0.91 MAPT (0.34) PIK3CAMTORTP53MAPT
SCHEMBL13908 0.91 HDAC3 (0.39) FLT3KDRNPC1RAB9AMAPT
SCHEMBL17485857 0.91 HDAC3 (0.39) FLT3KDRNPC1RAB9AMAPT
SCHEMBL14165 0.87 ABL1 (0.35) NPC1RAB9ATP53MAPT
SCHEMBL14244 0.87 HDAC3 (0.35) F7NPC1RAB9ATP53MAPT
SCHEMBL19719332 0.86 FLT3 (0.32) EGFRFLT3
SCHEMBL13870 0.85 EPHX2 (0.35) MAPT
SCHEMBL14853462 0.84 MAPT (0.32) MAPT

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 JAK3 3069/4885F2 2029/4885F7 1985/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT JAK3 3069/4885F2 2029/4885F7 1985/4885

“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.