SCHEMBL14311

SCHEMBL14311

O=c1nc2[nH]c(-c3ccc(S(=O)(=O)NC4CCNCC4)c(Cl)c3)cc2cn1-c1ccc(CNCCCF)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
KIT P10721 3/20 0.30
CNR2 P34972 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
SCHEMBL12061533 0.89 KIT (0.36) BRD4BRD2BRD3KITCNR2
SCHEMBL20082363 0.86 BRD4 (0.35) BRD4BRD2BRD3KITCNR2
SCHEMBL14735 0.84 KIT (0.39) KIT
SCHEMBL14319 0.83 MMP13 (0.35) BRD4BRD2BRD3KIT
SCHEMBL14026 0.79 CCNA2 (0.35)
SCHEMBL14209 0.78 KIT (0.34) KIT
SCHEMBL14729 0.77 BRD4 (0.37) BRD4KIT
SCHEMBL14303 0.76 HDAC4 (0.37) BRD4BRD2BRD3CNR2
SCHEMBL14512 0.76 RIPK1 (0.41)
SCHEMBL14326 0.75 KDR (0.34) KIT

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 BRD4 3092/4885BRD2 3469/4885BRD3 2705/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BRD4 3092/4885BRD2 3469/4885BRD3 2705/4885

“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.