SCHEMBL1308059

SCHEMBL1308059

O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
GAA P10253 1/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
GALR3 O60755 1/20 0.60
NR2F2 P24468 1/20 0.60
HSD17B10 Q99714 1/20 0.57
MAPT P10636 2/20 0.52
P2RX7 Q99572 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
G6PD P11413 1/20 0.49
SERPINE1 P05121 2/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL1307882 0.91 MEN1 (0.59) KDM4EGAAMEN1KMT2AGALR3
SCHEMBL6305423 0.84 MEN1 (0.57) KDM4EGAAMEN1KMT2AGALR3
SCHEMBL27331760 0.80 KDM4E (0.66) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL418999 0.80 KDM4E (0.66) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL8482804 0.79 KDM4E (0.64) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL7528165 0.78 KDM4E (0.71) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL10559385 0.78 KCNJ5 (0.67) MEN1KMT2AGALR3NR2F2MAPT
SCHEMBL28000208 0.78 GALR3 (0.60) KDM4EGAAMEN1KMT2AGALR3
SCHEMBL417913 0.77 SERPINE1 (0.66) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL1308047 0.77 GALR3 (0.47) KDM4EGAAMEN1KMT2AGALR3

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 KDM4E 724/4885GAA 2209/4885MEN1 2312/4885

“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.