SCHEMBL25404920

SCHEMBL25404920

NCc1ccc(COC(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.41
▸ IDO1 P14902 3/20 0.41
▸ AGXT P21549 2/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ MAPK14 Q16539 4/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL21196404 0.79 MAOB (0.44) MAOBIDO1AGXTLOXL2MAPK14
Hydrochloric Acid SCHEMBL25408330 0.77 MAOB (0.45) MAOBIDO1AGXTLOXL2MAPK14
Hydrochloric Acid SCHEMBL29506808 0.77 MAOB (0.45) MAOBIDO1AGXTLOXL2MAPK14
SCHEMBL2007285 0.77 LOXL2 (0.48) MAOBIDO1AGXTLOXL2
SCHEMBL15054210 0.73 MAOB (0.40) MAOBIDO1AGXTLOXL2MAPK14
SCHEMBL30523636 0.73 MAOB (0.40) MAOBIDO1AGXTLOXL2MAPK14
SCHEMBL18562850 0.72 LOXL2 (0.43) MAOBIDO1AGXTLOXL2CSNK2A1
SCHEMBL1695325 0.72 CSNK2A1 (0.45) MAOBLOXL2MAPK14CSNK2A1
SCHEMBL2440368 0.71 CSNK2A1 (0.45) LOXL2ROCK2ROCK1CSNK2A1AKT1
SCHEMBL25404947 0.71 RORC (0.38) IDO1AGXTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509423-B2 Compound, aldehyde dehydrogenase 2 activating agent, pharmaceutical composition, and therapeutic and/or prophylactic drug ALCHEMEDICINE, INC. (JP) 2025-12-30 — — US disclosed
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALCHEMEDICINE, INC. (JP) 2023-09-21 — — US disclosed
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALCHEMEDICINE, INC. (JP) 2023-09-21 — — US disclosed
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALCHEMEDICINE, INC. (JP) 2023-09-21 — — US disclosed
EP-4238964-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2023-09-06 — — EP disclosed
EP-4238964-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2023-09-06 — — EP disclosed
CN-116348449-A Compounds, acetaldehyde dehydrogenase 2 activators, pharmaceutical compositions, and therapeutic and/or prophylactic agents 亚克医药株式会社 2023-06-27 — — CN disclosed
WO-2022092310-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG 株式会社アークメディスン 2022-05-05 — — 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 (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-12509423-B2 Compound, aldehyde dehydrogenase 2 activating agent, pharmaceutical composition, and therapeutic and/or prophylactic drug ALDH2, ALDH1A1, ADH1A MAOB 1320/4885IDO1 1126/4885AGXT 884/4885
US-20230295091-A1 Compound, Aldehyde Dehydrogenase 2 Activating Agent, Pharmaceutical Composition, and Therapeutic and/or Prophylactic Drug ALDH2, ALDH1A1, ALDH3A1 MAOB 391/4885IDO1 1410/4885AGXT 318/4885

“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.

Send feedback