SCHEMBL14795

SCHEMBL14795

NCCCCNC1CCN(c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.33
EHMT1 Q9H9B1 2/20 0.33
AKT1 P31749 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
PAK1 Q13153 1/20 0.32
MAP3K5 Q99683 1/20 0.31
WDR5 P61964 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
BTK Q06187 1/20 0.30
PRMT3 O60678 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
SCHEMBL13964 0.84 BACE1 (0.39) AKT1
SCHEMBL13929 0.83 BACE1 (0.41) AKT1
SCHEMBL17486574 0.83 MAPT (0.35) EHMT2EHMT1
SCHEMBL13759 0.82 EPHX2 (0.37) BTK
SCHEMBL17354251 0.78 BACE1 (0.37)
SCHEMBL14011 0.77 DRD2 (0.40)
SCHEMBL17354246 0.77 BACE1 (0.39)
SCHEMBL13638 0.77 DRD2 (0.40)
SCHEMBL14162 0.76 SLC6A4 (0.41) SMYD3
SCHEMBL13920 0.75 SLC6A4 (0.43)

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 EHMT2 3100/4885EHMT1 2681/4885AKT1 3953/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EHMT2 3100/4885EHMT1 2681/4885AKT1 3953/4885

“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.