SCHEMBL14428

SCHEMBL14428

CC1CCCCN1CCCN(C1CCNCC1)S(=O)(=O)c1ccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 6/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12062042 0.93 KCNH2 (0.34) KCNH2SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL14352 0.90 SLC6A2 (0.35) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL12061894 0.87 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL14350 0.86 CSF1R (0.35) KCNH2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13893 0.85 SLC6A2 (0.38) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13624 0.84 SLC6A2 (0.37) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13941 0.84 SLC6A4 (0.36) KCNH2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14356 0.84 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL12062055 0.83 SLC6A2 (0.36) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL14450 0.83 SLC6A2 (0.34) 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-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
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 (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-20120220566-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.