SCHEMBL25544825

SCHEMBL25544825

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
PTGS1 P23219 3/20 0.35
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL25544353 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL25203632 0.86 TNF (0.34) PTGS2PTGS1
SCHEMBL25188617 0.79 NPC1 (0.39) LMNA
SCHEMBL25544406 0.79 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL25544325 0.76 GRIN2B (0.40)
SCHEMBL25544503 0.76 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL25544366 0.75 TSHR (0.33) PTGS2PTGS1
SCHEMBL25544901 0.72 ALDH1A1 (0.31) LMNA
SCHEMBL25544932 0.72 MAPK14 (0.36) PTGS2PTGS1
SCHEMBL25197587 0.71 MAOB (0.41)

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 PTGS2 1486/4885PTGS1 617/4885TRPA1 4806/4885

“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.