SCHEMBL23958740

SCHEMBL23958740

COc1cc(C(=O)NC[C@](O)(c2nc(-c3ccc(F)cc3)c(Cl)c(C(C)(C)O)c2F)C(F)(F)F)cc2cc(C)c(F)nc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
PTGFR P43088 6/20 0.32
GABRA5 P31644 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.30
NR3C1 P04150 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
SCHEMBL25234129 1.00 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL30007363 0.94 CFTR (0.38) CFTRMAPTPTGFRGABRA5KMT2A
SCHEMBL23958764 0.94 CFTR (0.38) CFTRMAPTPTGFRGABRA5KMT2A
SCHEMBL25687239 0.94 CFTR (0.38) CFTRMAPTPTGFRGABRA5KMT2A
SCHEMBL23958750 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL30007224 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL23958781 0.91 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL30006889 0.89 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL25687212 0.89 CFTR (0.36) CFTRKDM4EALDH1A1HTTNPSR1
SCHEMBL23958734 0.86 CFTR (0.38) 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.