SCHEMBL14505

SCHEMBL14505

COc1ccc(CCN(C2CCNCC2)S(=O)(=O)c2cccc(-c3cc4cn(-c5ccc(CN)cc5)c(=O)nc4[nH]3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A3 Q01959 2/20 0.36
DCK P27707 1/20 0.34
PTGDR Q13258 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 3/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1B P47901 3/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 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
SCHEMBL12062122 0.91 KIT (0.36) SLC6A2SLC6A4KCNH2SLC6A3KIT
SCHEMBL12062130 0.88 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2SLC6A3KIT
SCHEMBL14206 0.87 SLC6A2 (0.33) SLC6A2SLC6A4KCNH2SLC6A3MAPT
SCHEMBL12075845 0.87 SLC6A2 (0.33) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL14299 0.87 KIT (0.35) SLC6A2SLC6A4KCNH2SLC6A3F10
SCHEMBL14777 0.86 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL14553 0.86 KCNH2 (0.35) SLC6A2SLC6A4KCNH2SLC6A3AVPR1B
SCHEMBL14554 0.85 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL14453 0.85 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3MAPT
SCHEMBL14334 0.84 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2SLC6A3

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 SLC6A2 3776/4885SLC6A4 4116/4885KCNH2 3637/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SLC6A2 3776/4885SLC6A4 4116/4885KCNH2 3637/4885

“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.