SCHEMBL14357

SCHEMBL14357

N=C(N)NCCC(=O)NCc1ccc(-n2cc3cc(-c4cccc(OCCO)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.35
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 2/20 0.35
ABL2 P42684 2/20 0.35
HTR7 P34969 1/20 0.34
F2 P00734 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
KLKB1 P03952 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL14565 0.92 CHEK2 (0.39) KITIKBKBCHUKF2F7
SCHEMBL17277136 0.91 CHEK2 (0.34) KITIKBKBCHUKABL1EGFR
SCHEMBL12062128 0.89 SRC (0.38) KITCHUKABL1EGFRSRC
SCHEMBL13966 0.87 SRC (0.38) KITCHUKABL1EGFRSRC
SCHEMBL14300 0.84 EGFR (0.34) KITABL1EGFRSRCABL2
SCHEMBL12062087 0.83 SRC (0.36) CHUKABL1EGFRSRCABL2
SCHEMBL13916 0.83 PDE3B (0.35) ABL1EGFRSRCABL2KLKB1
SCHEMBL20082539 0.83 SRC (0.34) KITABL1EGFRSRCABL2
SCHEMBL17277137 0.83 TLR7 (0.36) ABL1EGFRSRCABL2KDM4E
SCHEMBL14477 0.82 SRC (0.35) KITABL1EGFRSRCABL2

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
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
WO-2011047319-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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885IKBKB 2574/4885CHUK 2953/4885

“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.