SCHEMBL21611970

SCHEMBL21611970

Fc1cc(-n2cc(CSc3ccnc(C(F)(F)F)c3)nn2)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 18/20 0.46
▸ GRIN1 Q05586 17/20 0.46
▸ GRIN2B Q13224 17/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL21612007 0.89 NOTUM (0.51) RXRAGRIN1GRIN2BNOTUMCYP3A4
SCHEMBL21614754 0.82 NOTUM (0.50) RXRAGRIN1GRIN2BNOTUM
SCHEMBL21614706 0.81 CYP3A4 (0.46) RXRAGRIN1GRIN2BNOTUMCYP3A4
SCHEMBL21611954 0.81 RXRA (0.48) RXRAGRIN1GRIN2BNOTUMCYP3A4
SCHEMBL21614693 0.81 CYP3A4 (0.51) RXRAGRIN1GRIN2BCYP3A4CYP2C19
SCHEMBL21614668 0.79 CYP3A4 (0.67) RXRAGRIN1GRIN2BCYP3A4CYP2C19
SCHEMBL21614685 0.79 NOTUM (0.51) RXRAGRIN1GRIN2BNOTUMCYP3A4
SCHEMBL21614686 0.76 HDAC8 (0.49) RXRAGRIN1GRIN2BCYP3A4CYP2C19
SCHEMBL21612054 0.72 CYP3A4 (0.65) RXRAGRIN1GRIN2BCYP3A4CYP2C19
SCHEMBL21614682 0.71 CYP2C19 (0.64) RXRAGRIN1GRIN2BNOTUMCYP3A4

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 RXRA 610/4885GRIN1 1447/4885GRIN2B 1208/4885

“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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