SCHEMBL5739690

SCHEMBL5739690

CON(C(=O)C1(O)C=CC(NC(=O)OC(C)(C)C)CC1)c1ccnc2cccnc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAP4K4 O95819 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
GPR119 Q8TDV5 1/20 0.30
AKT1 P31749 1/20 0.30
EPHX2 P34913 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
SCHEMBL5261192 0.83 KDM4E (0.33) KDM4EMAP4K4TDP1PDE10AALDH1A1
SCHEMBL5636825 0.78 JAK1 (0.40) MAP4K4PDE10AALDH1A1KDM4DJAK2
SCHEMBL5260297 0.74 KDM4D (0.33) KDM4EMAP4K4TDP1PDE10AALDH1A1
SCHEMBL5636179 0.74 KDM4D (0.33) KDM4EMAP4K4TDP1PDE10AALDH1A1
SCHEMBL5748387 0.74 POLB (0.41) MAP4K4PDE10AALDH1A1JAK2JAK1
SCHEMBL5264532 0.74 MAPT (0.32) KDM4EMAP4K4TDP1PDE10AKDM4D
SCHEMBL5749947 0.73 SSTR4 (0.32)
SCHEMBL3577407 0.73 KDM4D (0.32) KDM4ETDP1PDE10AALDH1A1HPGD
SCHEMBL5747116 0.72 POLB (0.41) KDM4EMAP4K4PDE10AALDH1A1JAK2
SCHEMBL5748603 0.72 POLB (0.41) KDM4EMAP4K4PDE10AALDH1A1JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539133-B1 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2006-08-23 EP disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 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-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS NFKB1 887/4885NFKB2 557/4885RELA 518/4885

“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.