SCHEMBL13732

SCHEMBL13732

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCc3nc4ccccc4[nH]3)nc2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
SLC40A1 Q9NP59 8/20 0.40
ROCK1 Q13464 1/20 0.39
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL14850253 0.94 SMN1; SMN2 (0.43) BDKRB1POLBSLC40A1LMNAMAPK1
SCHEMBL14108 0.86 ACR (0.33) BDKRB1SLC40A1ABL1
SCHEMBL13802 0.84 BDKRB1 (0.46) BDKRB1RAB9AROCK1LMNAGSK3B
SCHEMBL13945 0.83 CYP3A4 (0.39) POLBRAB9AROCK1ALDH1A1GAA
SCHEMBL17354237 0.83 F9 (0.36) BDKRB1MAPK1ABL1
SCHEMBL14149 0.82 ROCK2 (0.40) BDKRB1ROCK1MAPK1
SCHEMBL17354130 0.82 NPC1 (0.38) POLBRAB9AROCK1MAPK1GAA
SCHEMBL17354375 0.81 MAPT (0.35) BDKRB1POLBALDH1A1ABL1
SCHEMBL13976 0.81 LOXL2 (0.34) BDKRB1POLBRAB9ASLC40A1
SCHEMBL14167 0.81 RET (0.34)

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 BDKRB1 3258/4885POLB 525/4885RAB9A 3216/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BDKRB1 3258/4885POLB 525/4885RAB9A 3216/4885

“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.