SCHEMBL1307242

SCHEMBL1307242

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.81
▸ PPARA Q07869 2/20 0.81
▸ KDM4E B2RXH2 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ CASP1 P29466 1/20 0.62
▸ SERPINE1 P05121 6/20 0.61
▸ AKR1C4 P17516 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ AKR1C2 P52895 1/20 0.61
▸ AKR1C1 Q04828 1/20 0.61
▸ TP53 P04637 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL7038137 0.90 PPARG (0.68) PPARGPPARAKDM4EHSD17B10SMN1; SMN2
SCHEMBL1307332 0.90 PPARG (0.71) PPARGPPARAKDM4EHSD17B10SMN1; SMN2
SCHEMBL18644316 0.90 PPARG (1.00) PPARGPPARAKDM4EHSD17B10SMN1; SMN2
SCHEMBL7040866 0.89 PPARG (0.67) PPARGPPARAKDM4EHSD17B10SMN1; SMN2
SCHEMBL1308769 0.89 PPARG (0.69) PPARGPPARAKDM4ESMN1; SMN2TSHR
SCHEMBL2891026 0.88 PPARG (0.68) PPARGPPARAKDM4ESMN1; SMN2TSHR
SCHEMBL7038130 0.87 SERPINE1 (0.70) PPARGPPARAKDM4ESERPINE1TP53
SCHEMBL7037646 0.85 PPARG (0.65) PPARGPPARAKDM4ESMN1; SMN2TSHR
SCHEMBL7040843 0.85 PPARG (0.69) PPARGPPARAKDM4ESERPINE1AKR1C4
SCHEMBL7038105 0.83 PPARG (0.62) PPARGPPARAKDM4ESERPINE1AKR1C4

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 2538/4885KDM4E 724/4885

“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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