SCHEMBL13684

SCHEMBL13684

NCCCNC1CCN(C(=O)Cc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
EPHX2 P34913 8/20 0.36
CYP2C9 P11712 3/20 0.34
CYP2J2 P51589 3/20 0.34
KDM5A P29375 1/20 0.34
CXCR2 P25025 4/20 0.34
CHRM4 P08173 1/20 0.33
MCHR1 Q99705 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CFD P00746 1/20 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
SCHEMBL17485862 1.00 EGFR (0.36) EGFRBTKEPHX2CYP2C9CYP2J2
SCHEMBL17354495 0.88 CHRM4 (0.38) EPHX2CYP2C9CYP2J2CXCR2CHRM4
SCHEMBL14850218 0.88 CHRM4 (0.38) EPHX2CYP2C9CYP2J2CXCR2CHRM4
SCHEMBL17354349 0.87 EPHX2 (0.42) EPHX2
SCHEMBL14850225 0.87 EPHX2 (0.37) EPHX2CYP2C9CYP2J2CXCR2OPRD1
SCHEMBL13798 0.85 EPHX2 (0.37) EPHX2CYP2C9CYP2J2CXCR2OPRD1
SCHEMBL14268 0.84 SIGMAR1 (0.37) EPHX2
SCHEMBL13759 0.82 EPHX2 (0.37) EGFRBTKEPHX2CXCR2CHRM4
SCHEMBL14269 0.81 CXCR2 (0.41) EPHX2CXCR2
SCHEMBL14191 0.78 GAA (0.36) EPHX2CXCR2

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 6 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-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 (1 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 EGFR 4722/4885BTK 3114/4885EPHX2 3041/4885

“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.