SCHEMBL14527

SCHEMBL14527

N=C(N)NCCCNCc1ccc(-n2cc3cc(-c4cccc(N5CCNCC5)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 11/20 0.35
GRK6 P43250 1/20 0.34
KIT P10721 2/20 0.34
FAAH O00519 1/20 0.34
ASAH1 Q13510 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
TGFB2 P61812 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 1/20 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
SCHEMBL14050 0.92 VCP (0.39) VCPKIT
SCHEMBL14369 0.90 CHRM3 (0.39)
SCHEMBL14421 0.89 VCP (0.38) VCPGRK6HTR1AHTR7
SCHEMBL14469 0.88 CHRM3 (0.34) VCPKIT
SCHEMBL17277138 0.87 RIPK1 (0.35) KIT
SCHEMBL14447 0.86 KIT (0.36) KITHDAC4
SCHEMBL13939 0.86 ITGB3 (0.36)
SCHEMBL14448 0.86 KIT (0.34) KIT
SCHEMBL13823 0.86 USP25 (0.32) VCPKIT
SCHEMBL14542 0.84 KLKB1 (0.31) 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 VCP 2851/4885GRK6 4328/4885KIT 3949/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT VCP 2851/4885GRK6 4328/4885KIT 3949/4885

“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.