SCHEMBL3629554

SCHEMBL3629554

COc1ccc(NC(=S)Nc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.81
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
STAT1 P42224 1/20 0.64
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MEN1 O00255 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.59
TDP2 O95551 1/20 0.59
NSD2 O96028 1/20 0.59
CASP3 P42574 1/20 0.59
BLM P54132 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
NPC1 O15118 1/20 0.56

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
SCHEMBL3629704 0.91 QPCT (0.81) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL14012414 0.90 QPCT (1.00) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL3633490 0.89 QPCT (0.82) QPCTKMT2AMAPTMEN1
SCHEMBL3632425 0.87 QPCT (0.84) QPCTMAPTALDH1A1KDM4EGAA
SCHEMBL3633668 0.87 QPCT (0.84) QPCTKMT2AALDH1A1MAOAMAOB
SCHEMBL8145244 0.86 QPCT (0.84) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL3634687 0.86 QPCT (0.84) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL3632304 0.86 QPCT (0.84) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL3633397 0.86 QPCT (0.81) QPCTKMT2AMAPTALDH1A1KDM4E
SCHEMBL3630017 0.85 QPCT (0.80) QPCTKMT2AMAPTALDH1A1KDM4E

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 3/4885KMT2A 2652/4885MAPT 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.