SCHEMBL12300587

SCHEMBL12300587

COC1=C(C)C(C2CCN(c3ccccc3)CC2)N(c2ccc3nc[nH]c3c2)OC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 7/20 0.44
▸ DRD2 P14416 3/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IP6K1 Q92551 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12301392 0.88 QPCT (0.39) QPCTDRD2IP6K1
SCHEMBL13643272 0.87 MMP12 (0.38) QPCTIP6K1
SCHEMBL13643310 0.78 QPCT (0.51) QPCTIP6K1POLBKDM4EALDH1A1
SCHEMBL2383187 0.78 QPCT (0.52) QPCTDRD2IP6K1POLBKDM4E
SCHEMBL12344548 0.77 QPCT (0.52) QPCT
SCHEMBL12344414 0.75 QPCT (0.42) QPCT
SCHEMBL2383017 0.73 QPCT (0.52) QPCTDRD2IP6K1POLBKDM4E
SCHEMBL12299666 0.73 QPCT (0.42) QPCT
SCHEMBL12300584 0.73 QPCT (0.40) QPCT
SCHEMBL12300588 0.72 QPCT (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2012-11-08 — — US disclosed
US-8269019-B2 Inhibitors PROBIODRUG AG (DE) 2012-09-18 — — US disclosed
US-20110224254-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 — — 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-20110224254-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885DRD2 4529/4885MEN1 2544/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885DRD2 4529/4885MEN1 2544/4885

“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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