SCHEMBL13897

SCHEMBL13897

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(Nc3nc4cc(F)c(F)cc4[nH]3)nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.34
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK1G2 P78368 1/20 0.30

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
SCHEMBL14853493 0.90 HDAC11 (0.33) HDAC11
SCHEMBL14176 0.87 ROCK1 (0.40) CSNK1DGSK3BCSNK1G2
SCHEMBL13833 0.85 PARP1 (0.35) HDAC11
SCHEMBL14850174 0.84 PDGFRB (0.30)
SCHEMBL13899 0.82 PLK4 (0.34) CSNK1A1CSNK1DCSNK1G2
SCHEMBL17485865 0.81 TSHR (0.38) CSNK1DGSK3BCSNK1G2
SCHEMBL13995 0.80 BDKRB1 (0.34)
SCHEMBL14853447 0.80 BDKRB1 (0.41) CSNK1DGSK3BCSNK1G2
SCHEMBL14126 0.80 TSHR (0.36) CSNK1DGSK3BCSNK1G2
SCHEMBL13622 0.79 MC4R (0.35) HDAC11

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 5 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-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-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 HDAC11 3364/4885CSNK1A1 4837/4885CSNK1D 4857/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC11 3364/4885CSNK1A1 4837/4885CSNK1D 4857/4885

“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.