SCHEMBL21611963

SCHEMBL21611963

FC(F)(F)c1cc(SCc2ccc(-c3ccc(Cl)nc3)cc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LOX P28300 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGS2 P35354 1/20 0.33

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 0.88 HDAC1 (0.36) LOXL2LOXCHRM5DAOCYP2A6
SCHEMBL21614743 0.81 DAO (0.38) LOXL2LOXDAOLMNAHPGD
SCHEMBL21614746 0.78 LOXL2 (0.35) LOXL2LOXDAOHPGDRAB9A
SCHEMBL15454013 0.77 LOXL2 (0.46) LOXL2LOXDAORAB9APTGS2
SCHEMBL30016369 0.77 LOXL2 (0.46) LOXL2LOXDAORAB9APTGS2
SCHEMBL21611942 0.73 PPARD (0.47) LOXL2LOXLMNAHPGDMEN1
SCHEMBL21611924 0.71 CDK2 (0.38) LMNAMEN1KMT2AALDH1A1PTGS2
SCHEMBL21611925 0.71 CYP3A4 (0.41) LOXL2LOXCHRM5MEN1RAB9A
SCHEMBL21614733 0.68 CYP2C19 (0.46) SMARCA2SMARCA4CYP3A4CYP2C9CYP2C19
SCHEMBL20308676 0.67 LOXL2 (0.48) LOXL2LOXSMARCA2SMARCA4KCNQ2

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 LOXL2 4197/4885LOX 4457/4885CHRM5 369/4885

“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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