SCHEMBL3635986

SCHEMBL3635986

CC[C@H](NC(=S)Nc1ccc2[nH]cnc2c1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 17/20 0.84
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK1 Q13464 1/20 0.43
MYLK4 Q86YV6 1/20 0.43

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
SCHEMBL3632643 1.00 QPCT (0.84) QPCTNPC1RAB9AMEN1KMT2A
SCHEMBL3634863 0.88 QPCT (0.84) QPCTNPC1RAB9AROCK1MYLK4
SCHEMBL3633558 0.87 QPCT (0.83) QPCTNPC1RAB9AKMT2A
SCHEMBL8035454 0.77 PPARG (0.56) QPCT
SCHEMBL14977596 0.77 PPARG (0.56) QPCT
SCHEMBL3633652 0.75 QPCT (0.82) QPCTNPC1RAB9A
SCHEMBL5133989 0.75 QPCT (0.50) QPCTNPC1RAB9A
SCHEMBL3667914 0.75 QPCT (0.58) QPCTNPC1RAB9A
SCHEMBL3632304 0.75 QPCT (0.84) QPCTNPC1RAB9AKMT2A
SCHEMBL8145244 0.75 QPCT (0.84) QPCTNPC1RAB9AKMT2A

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 3/4885NPC1 3047/4885RAB9A 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.