SCHEMBL21611971

SCHEMBL21611971

FC(F)(F)c1cc(OCc2nc3ccc(Oc4ccccc4)cc3o2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LOX P28300 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARG P37231 8/20 0.36
▸ AR P10275 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24027325 0.84 PPARG (0.47) KDM4EPPARGHSD17B10
SCHEMBL21611993 0.82 CYP2C19 (0.54) CYP3A4CYP2C19LOXLOXL2BLM
SCHEMBL21611934 0.82 CYP3A4 (0.37) CYP3A4CYP2C19LOXLOXL2BLM
SCHEMBL21611943 0.81 CYP3A4 (0.41) CYP3A4CYP2C19KDM4EHPGD
SCHEMBL21611941 0.79 CACNA1H (0.37) CYP3A4CYP2C19LOXLOXL2PPARG
SCHEMBL5669483 0.77 BLM (0.48) CYP3A4CYP2C19LOXLOXL2BLM
SCHEMBL30763500 0.75 F2 (0.37) CYP3A4CYP2C19PPARG
SCHEMBL30763504 0.75 F2 (0.37) CYP3A4CYP2C19PPARG
SCHEMBL21614763 0.75 F2 (0.37) CYP3A4CYP2C19PPARG
SCHEMBL21612019 0.74 RAB9A (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 CYP3A4 3080/4885CYP2C19 1824/4885LOX 4457/4885

“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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