SCHEMBL23958707

SCHEMBL23958707

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.39
PTGFR P43088 5/20 0.34
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
SCN9A Q15858 1/20 0.32
GABRA5 P31644 1/20 0.32
CNR1 P21554 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
SCHEMBL25687310 1.00 CFTR (0.39) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL25687415 0.93 CFTR (0.40) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL30007420 0.93 CFTR (0.36) CFTRMAPTADORA2AADORA2BADORA1
SCHEMBL23958811 0.93 CFTR (0.36) CFTRMAPTADORA2AADORA2BADORA1
SCHEMBL25687385 0.93 CFTR (0.36) CFTRMAPTADORA2AADORA2BADORA1
SCHEMBL25686197 0.93 CFTR (0.40) CFTRPTGFRCNR2MAPTNR3C1
SCHEMBL30211296 0.93 CFTR (0.40) CFTRPTGFRCNR2MAPTNR3C1
SCHEMBL25687518 0.93 CFTR (0.40) CFTRPTGFRCNR2MAPTNR3C1
SCHEMBL25284674 0.92 CFTR (0.38) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL25687304 0.92 CFTR (0.38) CFTRPTGFRCNR2KDM4EALDH1A1

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 2 patents. 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
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (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 CFTR 508/4885PTGFR 3859/4885CNR2 646/4885

“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.