SCHEMBL13539

SCHEMBL13539

N=C(N)NCCCC(CCCn1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)nc1=O)NCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
HDAC10 Q969S8 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SYK P43405 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGDS O60760 1/20 0.36
PRMT5 O14744 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
STAT3 P40763 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL13633 0.91 FLT3 (0.38) HDAC10MAPTLMNASYKALDH1A1
SCHEMBL13908 0.84 HDAC3 (0.39) MAPTHDAC1
SCHEMBL13723 0.83 LMNA (0.36) MAPTSMN1; SMN2LMNAHTTCYP1A2
SCHEMBL14283 0.81 NPC1 (0.37) MAPTSMN1; SMN2ALDH1A1HDAC1
SCHEMBL13746 0.81 TAS1R3 (0.32)
SCHEMBL14226 0.81 FLT3 (0.33) IKBKETBK1HDAC10MAPTLMNA
SCHEMBL13740 0.80 MAPT (0.32) MAPT
SCHEMBL19719361 0.80 IKBKE (0.37) IKBKETBK1HDAC10MAPTSMN1; SMN2
SCHEMBL14850184 0.80 DRD2 (0.33) ALDH1A1
SCHEMBL14853461 0.79 MAPT (0.41) MAPTHTT

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 IKBKE 3491/4885TBK1 1933/4885HDAC10 1962/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IKBKE 3491/4885TBK1 1933/4885HDAC10 1962/4885

“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.