SCHEMBL1306728

SCHEMBL1306728

O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ACLY P53396 1/20 0.63
▸ GRIK1 P39086 6/20 0.59
▸ KCNQ2 O43526 4/20 0.57
▸ TRPM4 Q8TD43 2/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPK8 P45983 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
SCHEMBL1308597 0.92 MEN1 (0.72) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL22022886 0.90 ACLY (0.72) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1309256 0.87 MEN1 (0.78) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL27520745 0.86 KDM4E (0.62) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19511950 0.86 MEN1 (0.63) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9661232 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL22022901 0.85 ACLY (0.66) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL22022883 0.85 ACLY (0.63) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19511952 0.85 MEN1 (0.67) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL22022929 0.84 ACLY (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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 MEN1 2312/4885KMT2A 1570/4885ALDH1A1 1105/4885

“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.

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