SCHEMBL14224

SCHEMBL14224

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)c3ccc(Cl)cc3)nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.39
F10 P00742 7/20 0.37
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
AXL P30530 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
FRK P42685 1/20 0.36
CLK2 P49760 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
PTK6 Q13882 1/20 0.36
NTRK3 Q16288 1/20 0.36

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
SCHEMBL17354123 0.91 HDAC1 (0.39) HDAC1NPC1RAB9AHDAC2
SCHEMBL14079 0.85 PARP1 (0.35) HDAC1
SCHEMBL14225 0.83 CSNK1D (0.33)
SCHEMBL14032 0.80 CNR1 (0.36) MCHR1L3MBTL1
SCHEMBL17486524 0.80 RORC (0.32) PRKD3MAP4K4NTRK1AXLFLT4
SCHEMBL13842 0.79 KDR (0.39) EGFRNTRK1LCKFYNFLT4
SCHEMBL14160 0.79 RORC (0.40) HDAC1MCHR1
SCHEMBL14850173 0.79 KDR (0.41) LCKFYNFLT4KDRFLT3
SCHEMBL13751 0.78 LYN (0.34) HDAC1NTRK1LCKFLT4KDR
SCHEMBL14853161 0.78 PARP1 (0.31)

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 HDAC1 2713/4885F10 2394/4885PRKD3 3534/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC1 2713/4885F10 2394/4885PRKD3 3534/4885

“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.