SCHEMBL14091

SCHEMBL14091

N=C(N)NCCC[C@@H](CCCn1ccc(NC(=O)Nc2ccc(F)cc2F)nc1=O)NCCCN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 3/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
RECQL P46063 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
SCHEMBL14054 0.92 ABL1 (0.30) ABL1RIN1
SCHEMBL14165 0.90 ABL1 (0.35) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL13608 0.87 RECQL (0.34) KMT2AMEN1ABL1RIN1SMN1; SMN2
SCHEMBL19718353 0.85 CA1 (0.35) KDM4EALDH1A1ABL1RIN1
SCHEMBL14200 0.85 CA1 (0.35) KDM4EALDH1A1ABL1RIN1
SCHEMBL14853462 0.85 MAPT (0.32) ABL1RIN1MAPT
SCHEMBL13740 0.85 MAPT (0.32) ABL1RIN1MAPT
SCHEMBL14853461 0.84 MAPT (0.41) HTTABL1RIN1HSD17B10MAPT
SCHEMBL14850183 0.83 MAPT (0.31) ABL1RIN1MAPT
SCHEMBL13870 0.83 EPHX2 (0.35) KMT2AMEN1MAPT

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 NPC1 985/4885RAB9A 3216/4885KMT2A 4518/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NPC1 985/4885RAB9A 3216/4885KMT2A 4518/4885

“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.