SCHEMBL12274804

SCHEMBL12274804

O=C1C=C(NC2CCCCC2)C(c2cc(F)cc(F)c2F)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 16/20 0.52
▸ IP6K1 Q92551 1/20 0.36
▸ HSD11B1 P28845 2/20 0.33
▸ EPHX1 P07099 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
SCHEMBL12274409 0.90 QPCT (0.52) QPCTIP6K1EPHX1
SCHEMBL12274590 0.83 QPCT (0.48) QPCTIP6K1EPHX1
SCHEMBL12273851 0.81 QPCT (0.56) QPCT
SCHEMBL12274270 0.81 QPCT (0.54) QPCT
SCHEMBL12456207 0.79 QPCT (0.56) QPCT
SCHEMBL12274609 0.79 QPCT (0.65) QPCT
SCHEMBL12274018 0.77 QPCT (0.85) QPCTHSD11B1
SCHEMBL12456212 0.75 QPCT (0.69) QPCT
SCHEMBL1444013 0.73 QPCT (0.55) QPCTHSD11B1
SCHEMBL29410497 0.73 QPCT (0.55) QPCTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP claimed
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP disclosed
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP disclosed
EP-2686313-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2014-01-22 — — EP disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-8530670-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-10 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
US-20120237475-A1 Novel Inhibitors PROBIODRUG AG (DE) 2012-09-20 — — US disclosed
WO-2012123563-A1 BENZ IMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-20 — — 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-20120237475-A1 Novel Inhibitors GLS, NQO2, GLS2 QPCT 5/4885IP6K1 4367/4885HSD11B1 1302/4885

“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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