SCHEMBL14319

SCHEMBL14319

NCc1ccc(-n2cc3cc(-c4ccc(S(=O)(=O)NC5CCNCC5)c(Cl)c4)[nH]c3nc2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
BRD4 O60885 4/20 0.33
KIT P10721 7/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 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
SCHEMBL12061533 0.89 KIT (0.36) BRD4KITBRD2BRD3
SCHEMBL14311 0.83 BRD4 (0.33) BRD4KITBRD2BRD3
SCHEMBL20082363 0.75 BRD4 (0.35) ALOX5APFEN1BRD4KITBRD2
SCHEMBL14326 0.74 KDR (0.34) MMP13KIT
SCHEMBL14735 0.72 KIT (0.39) KIT
SCHEMBL14078 0.71 KIT (0.38) KIT
SCHEMBL12062108 0.70 ADORA2B (0.44) KIT
SCHEMBL21368157 0.70 KIT (0.36) KIT
SCHEMBL17947057 0.70 KIT (0.36) MMP13KIT
SCHEMBL12062193 0.69 KIT (0.40) 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 MMP13 638/4885ALOX5AP 214/4885FEN1 324/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MMP13 638/4885ALOX5AP 214/4885FEN1 324/4885

“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.