SCHEMBL4768331

SCHEMBL4768331

CN(C(=O)c1ccncc1)n1cccc(C(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
GRM1 Q13255 1/20 0.37
CCR5 P51681 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
SCHEMBL4770430 0.73 KDM4E (0.41) KDM4ENAPRTHSD17B10ALDH1A1HPGD
SCHEMBL6303984 0.71 KDM4E (0.39) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL4765727 0.69 LMNA (0.48) KDM4EKMT2AMEN1RAB9ANAPRT
SCHEMBL4773707 0.69 CNR2 (0.33) KDM4EKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL25233228 0.69 RIPK3 (0.45) KDM4EKMT2AMEN1NAPRTLMNA
SCHEMBL6297488 0.68 TSHR (0.34) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL6304665 0.67 TBXAS1 (0.46) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL10725189 0.67 KDM4E (0.58) KDM4EKMT2AMEN1NAPRTLMNA
SCHEMBL4772142 0.66 SCN4A (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL353139 0.65 KDM4E (0.60) KDM4EKMT2AMEN1NAPRTLMNA

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-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
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 (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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 KDM4E 4142/4885KMT2A 3991/4885MEN1 175/4885

“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.