SCHEMBL13976

SCHEMBL13976

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3nc4ccccc4o3)nc2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
BDKRB1 P46663 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
BTK Q06187 2/20 0.32
TP53 P04637 1/20 0.31
ACR P10323 1/20 0.31

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
SCHEMBL17485868 0.97 LOXL2 (0.35) LOXL2SLC40A1HDAC3HDAC4HDAC1
SCHEMBL14850253 0.85 SMN1; SMN2 (0.43) SLC40A1BDKRB1MAPTPOLB
SCHEMBL17354375 0.84 MAPT (0.35) HDAC1HDAC6BDKRB1MAPTBTK
SCHEMBL14203 0.83 CNR1 (0.40) BDKRB1BTKRETKDR
SCHEMBL13702 0.83 CA2 (0.38) NPC1RAB9AMAPT
SCHEMBL14850256 0.82 MAP4K4 (0.41) BDKRB1NPC1RAB9AMAPTTP53
SCHEMBL14167 0.82 RET (0.34) BTKRETKDR
SCHEMBL17354265 0.82 ABL1 (0.34) HDAC1HDAC6BDKRB1BTKACR
SCHEMBL17354218 0.82 CA2 (0.38) NPC1RAB9AMAPTBTKTP53
SCHEMBL14850227 0.82 CNR1 (0.41) NPC1RAB9AMAPT

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
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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT LOXL2 922/4885SLC40A1 880/4885HDAC3 2555/4885

“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.