SCHEMBL14076562

SCHEMBL14076562

O=C1CCCN1CCC/N=C1\NC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccnc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MKNK1 Q9BUB5 2/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ IP6K1 Q92551 1/20 0.31

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
SCHEMBL5056455 1.00 QPCT (0.37) QPCTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL14217846 0.87 QPCT (0.35) QPCTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5056989 0.87 QPCT (0.35) QPCTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5063850 0.86 ACVR1 (0.41) QPCT
SCHEMBL14076493 0.86 ACVR1 (0.41) QPCT
SCHEMBL5057106 0.83 QPCT (0.41) QPCTKDM4EHSD17B10HPGDLMNA
SCHEMBL14076705 0.83 QPCT (0.41) QPCTKDM4EHSD17B10HPGDLMNA
SCHEMBL5058038 0.82 QPCT (0.39) QPCTKDM4EHSD17B10HPGDLMNA
SCHEMBL14076547 0.82 QPCT (0.39) QPCTKDM4EHSD17B10HPGDLMNA
SCHEMBL14076426 0.81 QPCT (0.35) QPCTKDM4EHSD17B10HPGDLMNA

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
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885KDM4E 3591/4885HSD17B10 193/4885

“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.

Send feedback