SCHEMBL14209

SCHEMBL14209

O=c1nc2[nH]c(-c3ccc(S(=O)(=O)NC4CCNCC4)cc3F)cc2cn1-c1ccc(CNCCCCl)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 11/20 0.34
KDR P35968 1/20 0.34
CNR1 P21554 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
NAMPT P43490 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL14326 0.85 KDR (0.34) KITKDRKMT2ATDP1
SCHEMBL13856 0.85 KLKB1 (0.38) KDRCNR1IKBKB
SCHEMBL14408 0.84 KIT (0.34) KITKDRKMT2ATDP1ALOX5AP
SCHEMBL14238 0.84 ADORA2B (0.40) KITKDRKMT2AADORA3ADORA2B
SCHEMBL14735 0.83 KIT (0.39) KITIKBKBCHUKNAMPTADORA3
SCHEMBL12061522 0.80 KIT (0.31) KITKDR
SCHEMBL14303 0.78 HDAC4 (0.37) CNR1IKBKBCCNT1CDK9
SCHEMBL14311 0.78 BRD4 (0.33) KIT
SCHEMBL14729 0.77 BRD4 (0.37) KIT
SCHEMBL20082363 0.76 BRD4 (0.35) KITCNR1ALOX5APFEN1

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 KIT 3949/4885KDR 4838/4885CNR1 4516/4885

“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.