SCHEMBL21611925

SCHEMBL21611925

FC(F)(F)c1cc(SCc2ccc(-c3ccc(Oc4ccccc4)cc3)cn2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX5AP P20292 3/20 0.38
▸ FEN1 P39748 3/20 0.38
▸ CHRM5 P08912 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SDHB P21912 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ USP1 O94782 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL21611938 0.92 LTA4H (0.40) CYP3A4CYP2C19ALOX5APFEN1LTA4H
SCHEMBL21614743 0.83 DAO (0.38) LOXLOXL2MEN1NPC1RAB9A
SCHEMBL21614744 0.81 HDAC1 (0.36) CYP3A4CYP2C19ALOX5APFEN1CHRM5
SCHEMBL21614746 0.81 LOXL2 (0.35) CYP2C19ALOX5APFEN1LOXLOXL2
SCHEMBL21612047 0.80 PPARD (0.48) CYP3A4CYP2C19ALOX5APFEN1PDE10A
SCHEMBL21614660 0.78 CYP2C19 (0.63) CYP3A4CYP2C19ALOX5APFEN1CHRM5
SCHEMBL21614668 0.77 CYP3A4 (0.67) CYP3A4CYP2C19
SCHEMBL21611924 0.76 CDK2 (0.38) CYP3A4CYP2C19MEN1KMT2A
SCHEMBL21611945 0.75 LOXL2 (0.38) LOXLOXL2MEN1KMT2A
SCHEMBL15454013 0.73 LOXL2 (0.46) CYP3A4SCN9ALOXLOXL2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 — — US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 — — EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — WO disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — 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 (2 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-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 CYP3A4 3080/4885CYP2C19 1824/4885ALOX5AP 1117/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 CYP3A4 3080/4885CYP2C19 1824/4885ALOX5AP 1117/4885

“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.

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