SCHEMBL14049

SCHEMBL14049

N=C(N)NCCC(=O)NCc1ccc(-n2cc3cc(-c4ccc(C[C@H](N)CO)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.34
ERBB2 P04626 5/20 0.33
KDR P35968 4/20 0.33
ADORA2A P29274 3/20 0.31
ADORA2B P29275 3/20 0.31
EGFR P00533 3/20 0.31
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31

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
SCHEMBL12062124 0.86 CHUK (0.40) ERBB2KDRHDAC3HDAC4HDAC1
SCHEMBL14357 0.82 KIT (0.35) KITEGFR
SCHEMBL17277412 0.81 ALDH1A1 (0.40)
SCHEMBL14438 0.80 EGFR (0.37) KITERBB2KDREGFRHDAC3
SCHEMBL12062061 0.79 KMT2A (0.34)
SCHEMBL14565 0.77 CHEK2 (0.39) KITADORA2AHDAC1
SCHEMBL17277136 0.76 CHEK2 (0.34) KITEGFR
SCHEMBL14447 0.76 KIT (0.36) KITERBB2KDRADORA2AADORA2B
SCHEMBL21367690 0.73 RIPK1 (0.38) ERBB2KDREGFRHDAC3HDAC4
SCHEMBL14232 0.72 RIPK1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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 KIT 3949/4885ERBB2 4814/4885KDR 4838/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885ERBB2 4814/4885KDR 4838/4885

“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.