SCHEMBL25544262

SCHEMBL25544262

Cc1ccc(C#CC2CCOCC2)c(/C=N/O)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
FGF23 Q9GZV9 1/20 0.31
HPGD P15428 1/20 0.31
SYK P43405 1/20 0.30
ACHE P22303 1/20 0.30
LMNA P02545 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
SCHEMBL25544263 0.83 SRC (0.33) ALDH1A1SYKLMNA
SCHEMBL30120995 0.81 HPGD (0.33) ALDH1A1FGF23HPGDLMNA
SCHEMBL23887755 0.76 MAOB (0.39) ALDH1A1HPGD
SCHEMBL30367984 0.76 MAOB (0.39) ALDH1A1HPGD
SCHEMBL25544592 0.71 CYP46A1 (0.39) ALDH1A1
SCHEMBL25544224 0.71 ALDH1A1 (0.38) ALDH1A1FGF23HPGDLMNA
SCHEMBL23887737 0.63 RAB9A (0.39) ALDH1A1HPGDACHELMNA
SCHEMBL23896349 0.62 RAB9A (0.38) ALDH1A1HPGDACHELMNA
SCHEMBL25195489 0.62 RAB9A (0.38) ALDH1A1HPGDACHELMNA
SCHEMBL12027328 0.62 CSNK2A1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ALDH1A1 542/4885FGF23 4876/4885HPGD 117/4885

“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.