Sugi Predict

Sugi Predict / Compounds / SCHEMBL1038685

SCHEMBL1038685

SCHEMBL1038685

CC(=C(C#N)C(N)=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK10 P53779 5/20 0.42
▸ TP53 P04637 2/20 0.39
▸ GABRA1 P14867 3/20 0.38
▸ GABRG2 P18507 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ TSHR P16473 5/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 1/20 0.30

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
SCHEMBL1492015 1.00 HPGD (0.46) HPGDALDH1A1L3MBTL1MAPK10TP53
SCHEMBL1038684 1.00 HPGD (0.46) HPGDALDH1A1L3MBTL1MAPK10TP53
SCHEMBL14517569 0.79 L3MBTL1 (0.38) HPGDALDH1A1L3MBTL1MAPK10TP53
SCHEMBL5239138 0.77 HPGD (0.39) HPGDALDH1A1L3MBTL1TSHRMAPT
SCHEMBL5239145 0.77 HPGD (0.39) HPGDALDH1A1L3MBTL1TSHRMAPT
SCHEMBL5239135 0.77 HPGD (0.39) HPGDALDH1A1L3MBTL1TSHRMAPT
SCHEMBL12588737 0.75 — —
SCHEMBL8537626 0.73 — —
SCHEMBL8402032 0.73 — —
SCHEMBL7180210 0.73 — —

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 — — WO disclosed
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 — — EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 — — US disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 — — US disclosed
EP-1931683-B1 FUSED TRICYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-07-13 — — EP disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 — — WO disclosed
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 — — EP disclosed
US-7767815-B2 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2010-08-03 — — US disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 — — EP disclosed
US-7687501-B2 Pyridothienopyridazinone derivatives as mGluR1 antagonists SCHERING CORPORATION (US) 2010-03-30 — — US disclosed
EP-1928885-A1 FUSED TRICYCLIC (MGLUR1) ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2008-06-11 — — EP disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 — — WO disclosed
US-20070072864-A1 Fused tricyclic mGIuR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 — — US disclosed
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2007-03-29 — — US disclosed
EP-1765829-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2007-03-28 — — EP disclosed
WO-2007032854-A1 FUSED TRICYCLIC mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-03-22 — — WO disclosed
WO-2007024593-A1 FUSED TRICYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-03-01 — — WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 — — US disclosed
US-20060009477-A1 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION 2006-01-12 — — US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 — — 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 (5 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-20070072864-A1 Fused tricyclic mGIuR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 HPGD 1841/4885ALDH1A1 1119/4885L3MBTL1 1463/4885
US-20070072863-A1 Fused tricyclic mGluR1 antagonists as therapeutic agents GRM1, GRM3, GRIN1 HPGD 1644/4885ALDH1A1 1121/4885L3MBTL1 1976/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 HPGD 1200/4885ALDH1A1 1026/4885L3MBTL1 2539/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HPGD 1629/4885ALDH1A1 1048/4885L3MBTL1 1649/4885
US-20060009477-A1 mGluR1 antagonists as therapeutic agents GRM1, GRM4, GRIA1 HPGD 1207/4885ALDH1A1 966/4885L3MBTL1 2529/4885

“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.