SCHEMBL5902084

SCHEMBL5902084

CN(C)/C=C(/C=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ CA4 P22748 1/20 0.39

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
SCHEMBL2393862 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL2393858 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL21164210 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL22394368 0.82 ALDH1A1 (0.55) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL4047404 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL4047407 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL20412361 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL23630301 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL10136139 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
Perchlorate SCHEMBL10991932 0.76 ALDH1A1 (0.38) ALDH1A1MAPTHPGDHCAR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241151-A1 Pyrid-2-one derivatives and methods of use AMGEN, INC. (US) 2006-10-26 — — US disclosed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 — — EP disclosed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 — — US disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 — — 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 (2 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-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 481/4885MAPT 2620/4885HPGD 31/4885
US-20060241151-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 490/4885MAPT 2399/4885HPGD 39/4885

“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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