SCHEMBL25686642

SCHEMBL25686642

CC(C)(NS(C)(=O)=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
PTGS2 P35354 13/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
PTGS1 P23219 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL23958629 0.90 PTGS2 (0.38) SCN9APTGS2ADORA2AADORA1ADORA3
SCHEMBL30007267 0.90 PTGS2 (0.38) SCN9APTGS2ADORA2AADORA1ADORA3
SCHEMBL23958683 0.89 ADORA2A (0.39) SCN9APTGS2ADORA2AADORA1ADORA3
SCHEMBL25686624 0.86 ADORA2A (0.39) SCN9APTGS2ADORA2AADORA1ADORA3
SCHEMBL23958955 0.80 LMNA (0.39) SCN9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL25686626 0.79 CFTR (0.37) SCN9APTGS2PTGS1LMNAKDM4E
SCHEMBL25686621 0.79 PTGDR2 (0.38) PTGS2LMNAMAP2K4
SCHEMBL31309547 0.77 ALDH1A1 (0.37) SCN9AADORA2AADORA1ADORA3ADORA2B
SCHEMBL23930265 0.77 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL31309443 0.77 ADORA2A (0.43) PTGS2ADORA2AADORA1ADORA3ADORA2B

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE SCN9A 3046/4885PTGS2 2304/4885ADORA2A 3556/4885

“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.