SCHEMBL14152

SCHEMBL14152

N=C(N)NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(Cl)cc3Cl)nc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
GOT1 P17174 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
HPGD P15428 1/20 0.32
ALPL P05186 2/20 0.32
HAT1 O14929 3/20 0.32
EP300 Q09472 3/20 0.32
AKT3 Q9Y243 1/20 0.32
MCHR1 Q99705 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL17354278 0.93 HSP90AA1 (0.32) CNR1HSP90AA1HSP90AB1
SCHEMBL14032 0.92 CNR1 (0.36) CNR1MEN1KMT2AMCHR1
SCHEMBL14088 0.90 CNR1 (0.38) CNR1MEN1KMT2AHAT1EP300
SCHEMBL14007 0.90 RAF1 (0.36) GOT1HAT1EP300HSP90AA1HSP90AB1
SCHEMBL13612 0.89 CNR1 (0.32) CNR1HSP90AA1HSP90AB1
SCHEMBL17354356 0.88 RAF1 (0.35) CNR1HSP90AA1HSP90AB1
SCHEMBL14024 0.86 IGF1R (0.34) CNR1HSP90AA1HSP90AB1
SCHEMBL13988 0.86 CA2 (0.36) CNR1MEN1KMT2AHAT1EP300
SCHEMBL17354273 0.86 CA2 (0.37) CNR1NPC1RAB9A
SCHEMBL17354297 0.84 CNR1 (0.36) CNR1MEN1KMT2AHPGDNPC1

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 4516/4885GOT1 2573/4885MEN1 3118/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CNR1 4516/4885GOT1 2573/4885MEN1 3118/4885

“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.