SCHEMBL14198

SCHEMBL14198

CN(C)c1ccc(NC(=O)Nc2nc(=O)c(-c3ccc(CN(CCCN)CCCN)cc3)c[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
CSF1R P07333 2/20 0.37
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
NOX1 Q9Y5S8 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 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
SCHEMBL14850173 0.87 KDR (0.41) KITKDRCSF1RNAMPT
SCHEMBL13842 0.86 KDR (0.39) KITKDRCSF1RROCK2NAMPT
SCHEMBL17354193 0.85 KDR (0.42) KITKDRCSF1RROCK2
SCHEMBL14850175 0.84 JAK3 (0.41) KITPDGFRAKDRCSF1R
SCHEMBL17354208 0.84 KDR (0.39) CNR1KITPDGFRAKDRCSF1R
SCHEMBL14079 0.83 PARP1 (0.35) HDAC1ROCK2NAMPT
SCHEMBL14850182 0.83 HTR1A (0.37) KDRMAPTTP53DRD2
SCHEMBL17354135 0.82 KDR (0.38) KITPDGFRAKDRHDAC1MAPT
SCHEMBL13832 0.82 ROCK1 (0.35) MAPTTP53ESR2GAADRD2
SCHEMBL13751 0.81 LYN (0.34) KDRCSF1RHDAC1CA12CA1

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 8 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
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 CNR1 4516/4885KIT 3949/4885PDGFRA 4808/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CNR1 4516/4885KIT 3949/4885PDGFRA 4808/4885

“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.