SCHEMBL14374

SCHEMBL14374

NCCCCOc1nccc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
RXRA P19793 8/20 0.40
GRIN1 Q05586 8/20 0.40
GRIN2B Q13224 8/20 0.40
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
NCF1 P14598 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL20012069 0.85 SCN9A (0.44) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL16265343 0.83 SCN9A (0.45) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL17767964 0.81 NUDT1 (0.44) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL16631778 0.81 MCHR1 (0.47) SCN9AALOX5APFEN1
SCHEMBL30278077 0.80 SCN9A (0.42) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL17767985 0.79 MCHR1 (0.46) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL14880376 0.78 SCN9A (0.44) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL17778644 0.76 SCN9A (0.40) SCN9ARXRAGRIN1GRIN2BALOX5AP
SCHEMBL8348332 0.76 HRH1 (0.42) HRH3
SCHEMBL12487754 0.75 NOS1 (0.45) SCN9AHRH3NCF1NOS3NOS1

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 SCN9A 4717/4885HRH3 3537/4885RXRA 2213/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SCN9A 4717/4885HRH3 3537/4885RXRA 2213/4885

“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.