SCHEMBL12732940

SCHEMBL12732940

O=C1OC[C@H](c2ccc(C3CCCCC3)cc2)N1c1ccn2ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.52
▸ IDH1 O75874 4/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 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
SCHEMBL12732942 0.86 QPCT (0.51) QPCTIDH1HRH3HDAC1HDAC8
SCHEMBL12732689 0.86 QPCT (0.54) QPCTIDH1HDAC1HDAC8HDAC6
SCHEMBL12732681 0.85 QPCT (0.62) QPCTIDH1HDAC1HDAC8HDAC6
SCHEMBL22753763 0.85 QPCT (0.62) QPCTIDH1HDAC1HDAC8HDAC6
SCHEMBL12802512 0.85 QPCT (0.71) QPCTHRH3
SCHEMBL12732947 0.82 QPCT (0.52) QPCTIDH1HRH3
SCHEMBL12732949 0.81 QPCT (0.61) QPCTIDH1HDAC1HDAC8HDAC6
SCHEMBL12732938 0.81 QPCT (0.49) QPCTIDH1
SCHEMBL12732686 0.80 QPCT (0.75) QPCT
SCHEMBL1444560 0.72 QPCT (0.73) QPCTHRH3

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 2/4885IDH1 25/4885HRH3 1527/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885IDH1 25/4885HRH3 1527/4885

“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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