SCHEMBL1309941

SCHEMBL1309941

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 8/20 0.65
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GRIK1 P39086 1/20 0.57
TP53 P04637 1/20 0.56
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL1309719 0.85 PTPRC (0.62) SERPINE1ALDH1A1MAPTGRIK1TDP1
SCHEMBL7089912 0.84 KCNMA1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL418103 0.84 SERPINE1 (0.71) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1307881 0.84 KCNMA1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1308303 0.84 TP53 (0.78) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6351321 0.83 SERPINE1 (0.89) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1310012 0.82 AKR1C2 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29168834 0.82 MEN1 (0.63) ALDH1A1LMNAMAPTKDM4EHSD17B10
SCHEMBL1308410 0.82 GFER (0.76) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14855607 0.82 KCNMA1 (0.65) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1

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
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 SERPINE1 2130/4885AKR1C4 2250/4885AKR1C3 2015/4885

“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.