SCHEMBL1307704

SCHEMBL1307704

O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
PKM P14618 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
KCNK2 O95069 1/20 0.62
KCNK10 P57789 1/20 0.62
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACLY P53396 1/20 0.55
SLC16A3 O15427 1/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
DNM2 P50570 1/20 0.54
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL1308714 0.88 MEN1 (0.76) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL1308515 0.84 GRIK1 (0.80) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL2274511 0.83 ACLY (0.72) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL1310106 0.83 GRIK1 (0.74) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL1307456 0.82 GRIK1 (0.67) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL10913770 0.82 MEN1 (0.59) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL1308769 0.81 PPARG (0.69) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL14075267 0.81 SERPINE1 (0.80) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL2270227 0.80 SLC16A3 (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL27696984 0.80 SLC16A3 (0.53) GRIK1MEN1KMT2APKMKCNK2

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 GRIK1 2986/4885MEN1 2312/4885KMT2A 1570/4885

“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.