SCHEMBL21611945

SCHEMBL21611945

FC(F)(F)c1cc(SCc2ccc(Br)cn2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LOX P28300 1/20 0.37
▸ IDO1 P14902 1/20 0.33
▸ DAO P14920 3/20 0.32
▸ TYMS P04818 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL21614744 0.80 HDAC1 (0.36) LOXL2LOXIDO1DAOTYMS
SCHEMBL21614743 0.80 DAO (0.38) LOXL2LOXIDO1DAOMEN1
SCHEMBL21614746 0.80 LOXL2 (0.35) LOXL2LOXIDO1DAOTYMS
SCHEMBL18442638 0.79 PLA2G1B (0.33) DAOMEN1KMT2A
SCHEMBL21614706 0.76 CYP3A4 (0.46) NOTUMRXRAGRIN1GRIN2B
SCHEMBL21611937 0.76 LOXL2 (0.38) LOXL2LOXIDO1DAOTYMS
SCHEMBL21611925 0.75 CYP3A4 (0.41) LOXL2LOXMEN1KMT2A
SCHEMBL21611938 0.74 LTA4H (0.40) LOXL2LOX
SCHEMBL21611935 0.73 CYP2C19 (0.45) LOXL2LOXSYK
SCHEMBL15454013 0.73 LOXL2 (0.46) LOXL2LOXDAO

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 5 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
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 LOXL2 4197/4885LOX 4457/4885IDO1 469/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 LOXL2 4197/4885LOX 4457/4885IDO1 469/4885

“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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