SCHEMBL13980

SCHEMBL13980

N=C(N)NCCCCNC1CCN(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
CXCR2 P25025 4/20 0.34
CHRM4 P08173 3/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ABL1 P00519 1/20 0.33
GBA1 P04062 1/20 0.33
P2RY1 P47900 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
FLT3 P36888 3/20 0.31
GSK3B P49841 3/20 0.31
PRKCQ Q04759 3/20 0.31
PRKCA P17252 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL14850230 0.94 CHRM4 (0.34) EPHX2CXCR2CHRM4UBE2MDCUN1D1
SCHEMBL13759 0.91 EPHX2 (0.37) EPHX2CXCR2CHRM4UBE2MDCUN1D1
SCHEMBL13626 0.88 FAAH (0.41) HTR2B
SCHEMBL14021 0.88 FAAH (0.41) HTR2B
SCHEMBL14064 0.88 GAA (0.42)
SCHEMBL13785 0.85 KDM4E (0.41)
SCHEMBL14850238 0.84 ALDH1A1 (0.35) CHRM4P2RY1
SCHEMBL17486574 0.81 MAPT (0.35) CA12CA1CA2CA4CA7
SCHEMBL13925 0.81 CCR2 (0.39) P2RY1
SCHEMBL17354365 0.81 MAPT (0.37) EPHX2

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 EPHX2 3041/4885CXCR2 2105/4885CHRM4 4693/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EPHX2 3041/4885CXCR2 2105/4885CHRM4 4693/4885

“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.