SCHEMBL12732938

SCHEMBL12732938

O=C1OC[C@H](c2ccc3c(c2)OCCO3)N1c1ccn2ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 12/20 0.49
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ STING1 Q86WV6 3/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL12732689 0.84 QPCT (0.54) QPCTALDH1A1IDH1
SCHEMBL22753763 0.83 QPCT (0.62) QPCTIDH1
SCHEMBL12732681 0.83 QPCT (0.62) QPCTIDH1
SCHEMBL12732947 0.82 QPCT (0.52) QPCTIDH1
SCHEMBL12732940 0.81 QPCT (0.52) QPCTIDH1
SCHEMBL12732942 0.80 QPCT (0.51) QPCTIDH1
SCHEMBL12732949 0.79 QPCT (0.61) QPCTIDH1
SCHEMBL12732686 0.78 QPCT (0.75) QPCTALDH1A1
SCHEMBL29410554 0.74 QPCT (0.68) QPCT
SCHEMBL1673399 0.74 QPCT (0.68) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885KDM4E 559/4885NPC1 4481/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885KDM4E 559/4885NPC1 4481/4885

“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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