SCHEMBL14553

SCHEMBL14553

CC(=O)NCCN(C1CCNCC1)S(=O)(=O)c1cccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
PI4KB Q9UBF8 1/20 0.33
KIT P10721 2/20 0.32
AVPR1B P47901 1/20 0.32
RORC P51449 4/20 0.31
NMT1 P30419 1/20 0.30
CHIT1 Q13231 1/20 0.30
CHIA Q9BZP6 1/20 0.30

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
SCHEMBL14777 0.87 SLC6A2 (0.34) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL12062130 0.86 SLC6A2 (0.35) KCNH2SLC6A2SLC6A4SLC6A3KIT
SCHEMBL12062122 0.86 KIT (0.36) KCNH2SLC6A2SLC6A4SLC6A3KIT
SCHEMBL14505 0.86 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4SLC6A3KIT
SCHEMBL14334 0.84 SLC6A2 (0.34) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL12062116 0.84 SLC6A2 (0.33) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL12075845 0.84 SLC6A2 (0.33) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL14554 0.83 SLC6A2 (0.35) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL14299 0.83 KIT (0.35) KCNH2SLC6A2SLC6A4SLC6A3KIT
SCHEMBL14206 0.83 SLC6A2 (0.33) KCNH2SLC6A2SLC6A4SLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT KCNH2 3637/4885SLC6A2 3776/4885SLC6A4 4116/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KCNH2 3637/4885SLC6A2 3776/4885SLC6A4 4116/4885

“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.