SCHEMBL12733047

SCHEMBL12733047

CCN(CC)c1ccc([C@H]2CN(Cc3ccc(OC)cc3)C(=O)N2c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 17/20 0.42
▸ QPCTL Q9NXS2 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL12812830 0.87 QPCT (0.42) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL12733251 0.85 QPCT (0.47) QPCTQPCTL
SCHEMBL12733267 0.83 QPCT (0.49) QPCTQPCTL
SCHEMBL12733048 0.82 HDAC1 (0.38) KDM4ENPC1MAPTMAPK1RECQL
SCHEMBL12813772 0.82 QPCT (0.47) QPCTQPCTL
SCHEMBL1444538 0.81 QPCT (0.56) QPCTQPCTL
SCHEMBL18867236 0.79 QPCT (0.30) QPCT
SCHEMBL1673351 0.78 QPCT (0.53) QPCTQPCTL
SCHEMBL29410457 0.78 QPCT (0.53) QPCTQPCTL
SCHEMBL1444517 0.78 QPCT (0.46) QPCTQPCTL

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
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

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 2/4885QPCTL 6/4885KDM4E 559/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885QPCTL 6/4885KDM4E 559/4885

“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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