SCHEMBL1308769

SCHEMBL1308769

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.69
PPARA Q07869 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 1/20 0.65
CASP1 P29466 1/20 0.65
GRIK1 P39086 9/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAPT P10636 1/20 0.57
PYGL P06737 1/20 0.57
KCNK2 O95069 1/20 0.57
KCNK10 P57789 1/20 0.57
JAK2 O60674 1/20 0.56

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
SCHEMBL7252808 0.90 PPARG (0.82) PPARGPPARASMN1; SMN2TSHRCASP1
SCHEMBL2891026 0.89 PPARG (0.68) PPARGPPARASMN1; SMN2TSHRCASP1
SCHEMBL1308314 0.89 GRIK1 (0.69) PPARGPPARASMN1; SMN2GRIK1MEN1
SCHEMBL1307242 0.89 PPARG (0.81) PPARGPPARASMN1; SMN2TSHRCASP1
SCHEMBL2270596 0.87 ACLY (0.70) PPARGPPARAGRIK1MEN1KMT2A
SCHEMBL2270119 0.84 PPARG (0.64) PPARGPPARAGRIK1MEN1KMT2A
SCHEMBL2364731 0.84 SRC (0.58) PPARGPPARASMN1; SMN2TSHRCASP1
SCHEMBL1308714 0.83 MEN1 (0.76) SMN1; SMN2GRIK1MEN1KMT2AKDM4E
SCHEMBL29183052 0.82 GRIK1 (0.68) SMN1; SMN2GRIK1MEN1KMT2AKDM4E
SCHEMBL1307332 0.82 PPARG (0.71) PPARGPPARASMN1; SMN2TSHRCASP1

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 PPARG 2291/4885PPARA 2538/4885SMN1; SMN2 3584/4885

“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.