SCHEMBL23958781

SCHEMBL23958781

COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c(Cl)c(C(C)(C)O)c2F)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
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 0.32
PTGFR P43088 6/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GABRA5 P31644 1/20 0.32
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL30007224 1.00 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL23958750 1.00 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL25235693 0.94 CFTR (0.38) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL30007228 0.94 CFTR (0.38) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL25686201 0.94 CFTR (0.38) CFTRMAPTPTGFRADORA2AADORA2B
SCHEMBL30006889 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL25687212 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL30006727 0.91 CFTR (0.33) CFTR
SCHEMBL25687390 0.91 CFTR (0.33) CFTR
SCHEMBL23958740 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1

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 508/4885KDM4E 3733/4885ALDH1A1 1630/4885

“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.