Sugi Predict

Sugi Predict / Compounds / SCHEMBL13941

SCHEMBL13941

SCHEMBL13941

NCc1ccc(-n2cc3cc(-c4ccc(S(=O)(=O)N(CCCc5ccc(F)cc5)C5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TACR1 P25103 3/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KIT P10721 7/20 0.33
▸ AVPR1B P47901 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL14356 0.93 SLC6A2 (0.36) SLC6A4SLC6A2KCNH2SLC6A3PSEN1
SCHEMBL12062020 0.90 SLC6A2 (0.36) SLC6A4SLC6A2KCNH2SLC6A3PSEN1
SCHEMBL12062122 0.89 KIT (0.36) SLC6A4SLC6A2KCNH2SLC6A3KIT
SCHEMBL12061894 0.88 SLC6A2 (0.36) SLC6A4SLC6A2KCNH2SLC6A3AVPR1B
SCHEMBL14453 0.88 SLC6A2 (0.38) SLC6A4SLC6A2KCNH2SLC6A3KIT
SCHEMBL14352 0.87 SLC6A2 (0.35) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL13893 0.86 SLC6A2 (0.38) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL14350 0.85 CSF1R (0.35) SLC6A4SLC6A2KCNH2SLC6A3ALDH1A1
SCHEMBL13624 0.85 SLC6A2 (0.37) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL14450 0.85 SLC6A2 (0.34) SLC6A4SLC6A2KCNH2SLC6A3

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 SLC6A4 4116/4885SLC6A2 3776/4885KCNH2 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.