SCHEMBL4481121

SCHEMBL4481121

Cc1[nH]c(C)c(-c2ccc(OCc3cccc(C(F)(F)F)c3)nc2)c(=O)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 1.00
MRGPRX4 Q96LA9 1/20 0.44
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
RAB9A P51151 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAOB P27338 8/20 0.40
MAOA P21397 4/20 0.40
KDM1A O60341 2/20 0.40
PTPN1 P18031 1/20 0.39
SLC26A3 P40879 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SLC6A4 P31645 1/20 0.38
MMP1 P03956 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL4493325 0.91 SLC2A1 (0.84) SLC2A1MRGPRX4GRIN1GRIN2BPTPN1
SCHEMBL4468888 0.89 SLC2A1 (0.79) SLC2A1MRGPRX4GRIN1GRIN2BRAB9A
SCHEMBL4476159 0.88 SLC2A1 (0.79) SLC2A1MRGPRX4RAB9AHCAR2MAOB
SCHEMBL13754685 0.85 SLC2A1 (0.73) SLC2A1
SCHEMBL4478990 0.83 SLC2A1 (0.72) SLC2A1GRIN1GRIN2BRAB9A
SCHEMBL4491063 0.82 SLC2A1 (0.69) SLC2A1
SCHEMBL4490853 0.81 SLC2A1 (0.67) SLC2A1
SCHEMBL4493603 0.80 SLC2A1 (0.67) SLC2A1F2RL3MMP1
SCHEMBL4483841 0.80 SLC2A1 (0.67) SLC2A1HCAR2MAOBMAOAPTPN1
SCHEMBL4493390 0.80 SLC2A1 (0.66) SLC2A1GRIN1GRIN2BMAOBMAOA

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
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US claimed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US claimed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP SLC2A1 2278/4885MRGPRX4 1300/4885GRIN1 2803/4885

“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.