SCHEMBL14564

SCHEMBL14564

NCc1ccc(-n2cc3cc(-c4cccc(OCCCc5ccc(Cl)cc5)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
BACE1 P56817 1/20 0.35
KLKB1 P03952 1/20 0.34
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
KIT P10721 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
DHFR P00374 1/20 0.33
MAOB P27338 1/20 0.32
KCNH2 Q12809 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
SCHEMBL14376 0.93 EGLN1 (0.37) EGLN1DRD2DRD4DRD3KLKB1
SCHEMBL14187 0.90 IKBKB (0.35)
SCHEMBL14038 0.88 GSK3B (0.37)
SCHEMBL14156 0.88 PDE2A (0.37) PDE3BPDE3A
SCHEMBL14166 0.87 DRD2 (0.36) DRD2DRD4DRD3
SCHEMBL13916 0.87 PDE3B (0.35) KLKB1PDE3BPDE3A
SCHEMBL12062111 0.85 IKBKB (0.33)
SCHEMBL14136 0.85 PDE3B (0.40) KITPDE3BPDE3A
SCHEMBL14293 0.85 CHEK2 (0.42) MAOB
SCHEMBL13944 0.84 HDAC3 (0.35) PDE3BPDE3A

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 EGLN1 709/4885DRD2 2468/4885DRD4 1455/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EGLN1 709/4885DRD2 2468/4885DRD4 1455/4885

“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.