SCHEMBL3632497

SCHEMBL3632497

S=C(NCc1ccco1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.83
ALDH1A1 P00352 11/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HPGD P15428 5/20 0.59
MAPT P10636 5/20 0.59
HTT P42858 4/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 3/20 0.59
ALOX12 P18054 1/20 0.59
GPR174 Q9BXC1 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL3633652 0.81 QPCT (0.82) QPCTNPC1RAB9A
SCHEMBL6769630 0.80 QPCT (0.64) QPCTALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3628064 0.78 QPCT (0.83) QPCTALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3634613 0.77 QPCT (0.83) QPCTALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL8168661 0.77 QPCT (0.83) QPCTMEN1KMT2AALOX12
SCHEMBL3633215 0.77 QPCT (0.83) QPCTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL13373345 0.77 ALDH1A1 (0.58) QPCTALDH1A1HPGDMAPTHTT
SCHEMBL3628441 0.77 QPCT (0.83) QPCTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL7159143 0.76 RAB9A (0.71) QPCTALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3633422 0.76 QPCT (0.83) 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 16 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
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US 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 QPCT 3/4885ALDH1A1 1847/4885SMN1; SMN2 2373/4885

“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.