SCHEMBL4032725

SCHEMBL4032725

Cc1cccc(CC(=O)c2ccc3c(c2)OCO3)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
CTNNB1 P35222 7/20 0.52
WNT3A P56704 7/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.50
GAA P10253 2/20 0.48
HCRTR1 O43613 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6794489 0.92 NPC1 (0.59) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL6794849 0.82 CTNNB1 (0.48) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL13382573 0.78 CTNNB1 (0.50) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL2800434 0.76 MAPT (0.55) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL2254197 0.76 CTNNB1 (0.53) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL21917869 0.76 RAB9A (0.54) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL14592085 0.74 MEN1 (0.48) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL5199273 0.74 GRM5 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6177854 0.74 NPC1 (0.57) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL1516344 0.74 NPC1 (0.83) KDM4ECTNNB1WNT3ANPC1RAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US disclosed
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2008-11-06 US disclosed
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 US disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US disclosed
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN disclosed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP disclosed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 US disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (6 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 KDM4E 2073/4885CTNNB1 655/4885WNT3A 1676/4885
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 KDM4E 51/4885CTNNB1 1095/4885WNT3A 1025/4885
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMAD3, ALK, SMAD2 KDM4E 1369/4885CTNNB1 671/4885WNT3A 1069/4885
US-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 KDM4E 3032/4885CTNNB1 2319/4885WNT3A 2539/4885
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, SMAD2 KDM4E 1485/4885CTNNB1 318/4885WNT3A 1253/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 KDM4E 1697/4885CTNNB1 500/4885WNT3A 1478/4885

“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.