SCHEMBL3633552

SCHEMBL3633552

S=C(NCCc1ccccc1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.83
KDM4E B2RXH2 2/20 0.61
RAB9A P51151 4/20 0.57
NPC1 O15118 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
BCL6 P41182 1/20 0.51
NAMPT P43490 1/20 0.51
ALOX12 P18054 1/20 0.50

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 0.88 QPCT (0.82) QPCTRAB9ANPC1
SCHEMBL2541353 0.81 QPCT (0.54) QPCTMAPK1NAMPT
SCHEMBL5140659 0.80 EPHX1 (0.60) QPCTKDM4EMAPTALDH1A1KMT2A
SCHEMBL9960184 0.78 NAMPT (0.62) QPCTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3628064 0.78 QPCT (0.83) QPCTRAB9AMAPTALDH1A1KMT2A
SCHEMBL13373422 0.78 NAMPT (0.81) QPCTKDM4ERAB9ANPC1MAPT
SCHEMBL3634863 0.77 QPCT (0.84) QPCTRAB9ANPC1NAMPT
SCHEMBL3634613 0.77 QPCT (0.83) QPCTMAPTALDH1A1KMT2AMEN1
SCHEMBL4894168 0.76 ROCK2 (0.75) QPCTKDM4ERAB9ANPC1MAOA
SCHEMBL8168661 0.76 QPCT (0.83) QPCTKMT2AMEN1ALOX12

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 17 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
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 3/4885KDM4E 2520/4885RAB9A 725/4885

“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.