SCHEMBL13887

SCHEMBL13887

Cn1c(Nc2nc(=O)c(-c3ccc(CN(CCCN)CCCN)c(F)c3)c[nH]2)nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 2/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
BDKRB1 P46663 3/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL14853447 0.83 BDKRB1 (0.41) TP53SMN1; SMN2GAAPOLBBDKRB1
SCHEMBL14141 0.81 RAB9A (0.35) SMN1; SMN2GAAPOLBMAPTKDM4E
SCHEMBL14184 0.81 MAP4K4 (0.40) TP53SMN1; SMN2GAAMAPTKDM4E
SCHEMBL17354286 0.81 S1PR1 (0.33) SMN1; SMN2BDKRB1MAPTHTTS1PR1
SCHEMBL14853493 0.78 HDAC11 (0.33) BDKRB1
SCHEMBL14850243 0.77 RET (0.34) TP53ALOX5APFEN1MAPTS1PR1
SCHEMBL14153 0.77
SCHEMBL13711 0.77 PLK4 (0.32)
SCHEMBL13995 0.76 BDKRB1 (0.34) BDKRB1KDM4EALDH1A1HPGDS1PR1
SCHEMBL17354233 0.76 S1PR1 (0.33) S1PR1

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 TP53 3023/4885SMN1; SMN2 3979/4885GAA 934/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TP53 3023/4885SMN1; SMN2 3979/4885GAA 934/4885

“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.