SCHEMBL13670

SCHEMBL13670

N=C(N)NCCCN1CCCC(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR3 P51677 2/20 0.38
P2RY1 P47900 3/20 0.37
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR2 P41597 5/20 0.35
GAA P10253 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL14121 0.98 CCR2 (0.38) KDM4EHSD17B10CYP1A2CYP2D6SMN1; SMN2
SCHEMBL14009 0.97 CCR3 (0.40) KDM4EHSD17B10CYP1A2CYP2D6SMN1; SMN2
SCHEMBL13925 0.95 CCR2 (0.39) KDM4EHSD17B10CYP1A2CYP2D6SMN1; SMN2
SCHEMBL14324 0.94 CCR2 (0.40) CCR3P2RY1KCNH2CCR2
SCHEMBL14017 0.90 P2RY1 (0.39) P2RY1KCNH2ADRA1D
SCHEMBL13981 0.89 SLC6A4 (0.40) P2RY1KCNH2ADRA1D
SCHEMBL17354258 0.87 KMT2A (0.45) KDM4EHSD17B10
SCHEMBL14103 0.87 P2RY1 (0.41) CCR3P2RY1KCNH2
SCHEMBL17485863 0.87 P2RY1 (0.40) KDM4EHSD17B10CYP1A2CYP2D6SMN1; SMN2
SCHEMBL13917 0.86 SLC6A4 (0.42) P2RY1KCNH2

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 KDM4E 4344/4885HSD17B10 1504/4885CYP1A2 1366/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDM4E 4344/4885HSD17B10 1504/4885CYP1A2 1366/4885

“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.