SCHEMBL21614746

SCHEMBL21614746

FC(F)(F)c1cc(SCc2ccc(-c3cnc(Cl)nc3)cn2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ LOX P28300 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TYMS P04818 2/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GRIN2B Q13224 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 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 0.90 HDAC1 (0.36) LOXL2LOXDAOIDO1TYMS
SCHEMBL21614743 0.90 DAO (0.38) LOXL2LOXDAOIDO1MAPT
SCHEMBL21611924 0.82 CDK2 (0.38) CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL21611925 0.81 CYP3A4 (0.41) LOXL2LOXCYP2C19ALOX5APFEN1
SCHEMBL21611945 0.80 LOXL2 (0.38) LOXL2LOXDAOIDO1TYMS
SCHEMBL21611938 0.79 LTA4H (0.40) LOXL2LOXCYP2C19ALOX5APFEN1
SCHEMBL21611963 0.78 LOXL2 (0.38) LOXL2LOXDAOIDO1SMARCA2
SCHEMBL21611942 0.71 PPARD (0.47) LOXL2LOXCYP2C9CYP2C19MAPT
SCHEMBL15454013 0.69 LOXL2 (0.46) LOXL2LOXDAOMAPTL3MBTL1
SCHEMBL30016369 0.69 LOXL2 (0.46) LOXL2LOXDAOMAPTL3MBTL1

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 2 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
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 4457/4885DAO 3436/4885

“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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