SCHEMBL14735

SCHEMBL14735

NCCCNCc1ccc(-n2cc3cc(-c4ccc(S(=O)(=O)NC5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 15/20 0.39
ADORA2B P29275 3/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL20082363 0.89 BRD4 (0.35) KIT
SCHEMBL14078 0.87 KIT (0.38) KITADORA2BIKBKBCHUKADORA3
SCHEMBL14512 0.85 RIPK1 (0.41) IKBKB
SCHEMBL14028 0.84 AVPR1B (0.37)
SCHEMBL12061619 0.84 AVPR1B (0.35)
SCHEMBL14311 0.84 BRD4 (0.33) KIT
SCHEMBL14209 0.83 KIT (0.34) KITADORA2BIKBKBCHUKADORA3
SCHEMBL14729 0.82 BRD4 (0.37) KIT
SCHEMBL12061521 0.82 KIT (0.34) KITADORA2BIKBKBCHUK
SCHEMBL12062108 0.82 ADORA2B (0.44) KITADORA2BADORA3ADORA1

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
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 KIT 3949/4885ADORA2B 3920/4885IKBKB 2574/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885ADORA2B 3920/4885IKBKB 2574/4885

“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.