SCHEMBL4037355

SCHEMBL4037355

COC(=O)c1cc(N)nc(N)n1.Nc1cc(C(=O)O)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 2/20 0.37
HIF1A Q16665 2/20 0.37
TSHR P16473 1/20 0.37
GPR35 Q9HC97 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4696447 0.93 NQO2 (0.44) NQO2KDM4EALDH1A1MAPK1MAPT
SCHEMBL14465135 0.91 NQO2 (0.43) NQO2LMNATDP1KDM4EALDH1A1
SCHEMBL6474291 0.86 TSHR (0.48) LMNATDP1KDM4EALDH1A1MAPT
SCHEMBL14448644 0.84 NQO2 (0.47) NQO2KDM4EALDH1A1MAPK1MAPT
SCHEMBL6391471 0.81 NQO2 (0.50) NQO2LMNATDP1KDM4EALDH1A1
SCHEMBL31511598 0.77 KDM4E (0.55) NQO2KDM4EALDH1A1MAPK1MAPT
SCHEMBL31112076 0.77 KDM4E (0.44) NQO2LMNATDP1KDM4EALDH1A1
SCHEMBL4038668 0.76 ALDH1A1 (0.55) NQO2LMNATDP1KDM4EALDH1A1
SCHEMBL761174 0.76 NQO2 (0.49) NQO2LMNAKDM4EALDH1A1MAPT
SCHEMBL1222948 0.76 NQO2 (0.49) NQO2LMNAKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
EP-1538150-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2007-06-27 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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 (3 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 NQO2 208/4885LMNA 4396/4885TDP1 1907/4885
US-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 NQO2 2264/4885LMNA 3786/4885TDP1 4410/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR NQO2 2090/4885LMNA 4397/4885TDP1 4498/4885

“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.