SCHEMBL13857

SCHEMBL13857

N=C(N)NCCCN1CCN(C(=O)Cc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TP53 P04637 2/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CCR3 P51677 1/20 0.34
MAPT P10636 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
SCHEMBL14850229 0.91 GAA (0.40) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL14268 0.90 SIGMAR1 (0.37) ALDH1A1SMN1; SMN2EPHX2SIGMAR1MAPT
SCHEMBL14064 0.87 GAA (0.42) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL17354279 0.87 KMT2A (0.49) ALDH1A1KDM4EHSD17B10SMYD2KMT2A
SCHEMBL13626 0.85 FAAH (0.41) GAAL3MBTL1TP53MAPT
SCHEMBL13785 0.84 KDM4E (0.41) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL14009 0.84 CCR3 (0.40) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL14021 0.84 FAAH (0.41) GAAL3MBTL1TP53MAPT
SCHEMBL14269 0.83 CXCR2 (0.41) EPHX2CYP2D6
SCHEMBL13925 0.82 CCR2 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2CYP1A2

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-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
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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH1A1 1117/4885KDM4E 4344/4885HSD17B10 1504/4885

“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.