SCHEMBL4765181

SCHEMBL4765181

CN(C)c1ncc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 12/20 0.56
KDM4A O75164 12/20 0.56
HIF1AN Q9NWT6 12/20 0.56
KDM2A Q9Y2K7 12/20 0.56
KDM4D Q6B0I6 11/20 0.56
KDM3B Q7LBC6 11/20 0.47
KDM5B Q9UGL1 10/20 0.47
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL4763775 0.78 KDM6B (0.44) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL23900414 0.76 KDM6B (0.61) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL15330591 0.73 ALDH1A1 (0.39) HPGDKDM4EALDH1A1
SCHEMBL15349327 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL4766387 0.71 KDM6B (1.00) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL2219244 0.71 KDM6B (0.60) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL13295349 0.71 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL10787908 0.70 NPC1 (0.47) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL10561964 0.68 KDM6B (0.74) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL23900635 0.68 KDM6B (0.51) KDM6BKDM4AHIF1ANKDM2AKDM4D

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
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US disclosed
US-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect BAYER AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect CBR3, CBR1, CYP1B1 KDM6B 1421/4885KDM4A 1500/4885HIF1AN 1750/4885
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 KDM6B 4440/4885KDM4A 3952/4885HIF1AN 1319/4885

“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.