SCHEMBL25544932

SCHEMBL25544932

Cc1ccc2c(-c3ccc(F)c(C)c3)c(C3=CCOCC3)c[n+]([O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CSNK1E P49674 3/20 0.36
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
PRKDC P78527 1/20 0.32
CSNK1D P48730 2/20 0.30
SCN9A Q15858 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
SCHEMBL25544751 0.89 MAPK14 (0.36) MAPK14PDE3BPDE3ACSNK1ECSNK1D
SCHEMBL23887788 0.83 NPC1 (0.34)
SCHEMBL30121044 0.83 NPC1 (0.34)
SCHEMBL25544357 0.78 PRKDC (0.39) MAPK14PDE3BPDE3ACSNK1EPRKDC
SCHEMBL25544373 0.78 SCN9A (0.36) MAPK14PDE3BPDE3ACSNK1ESCN9A
SCHEMBL25544366 0.76 TSHR (0.33) PTGS2PTGS1
SCHEMBL25544406 0.73 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL25544825 0.72 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL25544355 0.71 PRKDC (0.40) MAPK14PDE3BPDE3ACSNK1EPRKDC
SCHEMBL25192641 0.70 MAOB (0.38) MAPK14CSNK1ECSNK1D

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 MAPK14 3750/4885PDE3B 1105/4885PDE3A 1687/4885

“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.