SCHEMBL14316

SCHEMBL14316

Cc1cc(F)cc(CN(C2CCNCC2)S(=O)(=O)c2ccc(-c3cc4cn(-c5ccc(CN(CCCN)CCCN)cc5)c(=O)nc4[nH]3)cc2)c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
AVPR1B P47901 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
MAPT P10636 1/20 0.31
PDE6D O43924 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL14233 0.87 PSEN1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL14018 0.87 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17277569 0.86 SLC6A2 (0.34) AVPR1BPDE6DSLC6A2SLC6A4SLC6A3
SCHEMBL14415 0.86 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12061513 0.86 SLC6A2 (0.32) PDE6DSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20082449 0.85
SCHEMBL20082435 0.84 CSF1R (0.34) AVPR1BPDE6DSLC6A2SLC6A4SLC6A3
SCHEMBL14519 0.83 CSF1R (0.33) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12061508 0.81 NSD2 (0.34) SLC6A4KCNH2
SCHEMBL14078 0.81 KIT (0.38)

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 7 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
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 USP2 2131/4885ALDH1A1 1117/4885HDAC3 2555/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT USP2 2131/4885ALDH1A1 1117/4885HDAC3 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.