SCHEMBL3633562

SCHEMBL3633562

S=C(Nc1ccc2[nH]cnc2c1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
GAA P10253 8/20 0.65
MAPT P10636 8/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 6/20 0.59
LMNA P02545 6/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
THRB P10828 2/20 0.54
PABPC1 P11940 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.46
EGFR P00533 1/20 0.46
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
HTT P42858 1/20 0.45
NSD2 O96028 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAD52 P43351 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3634490 0.88 KDM4E (0.63) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3633500 0.87 KDM4E (0.61) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL3632753 0.82 MAPT (0.53) KDM4EMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL30464453 0.73 ALDH1A1 (0.54) KDM4EMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL111568 0.73 ALDH1A1 (0.54) KDM4EMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL14119898 0.72 LMNA (1.00) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3667914 0.72 QPCT (0.58) KDM4EGAARAB9AQPCT
SCHEMBL1270765 0.71 RAF1 (0.48) KDM4EGAAL3MBTL1LMNATHRB
SCHEMBL2724768 0.71 KDM4E (0.70) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3630974 0.70 QPCT (0.82) GAAMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US claimed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP claimed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP claimed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US claimed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT KDM4E 2520/4885GAA 113/4885MAPT 730/4885

“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.