SCHEMBL85957

SCHEMBL85957

COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.74
QPCT Q16769 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 6/20 0.64
HSD17B10 Q99714 1/20 0.61
MAPK1 P28482 2/20 0.60
HTT P42858 1/20 0.53
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL14034120 0.86 IMPDH2 (0.77) IMPDH2QPCTKMT2AALDH1A1HSD17B10
SCHEMBL2731426 0.79 ALDH1A1 (0.74) KMT2AALDH1A1HSD17B10MAPK1HTT
SCHEMBL5131585 0.79 QPCT (1.00) QPCTKMT2AALDH1A1HSD17B10
SCHEMBL2730558 0.78 ALDH1A1 (0.73) KMT2AALDH1A1HSD17B10MAPK1HTT
SCHEMBL18708215 0.78 ALDH1A1 (1.00) KMT2AALDH1A1HSD17B10MAPK1HTT
SCHEMBL10288923 0.78 ALDH1A1 (0.79) ALDH1A1HSD17B10MAPK1HTTMAPT
Hydrochloric Acid SCHEMBL2732441 0.77 ALDH1A1 (0.77) ALDH1A1HSD17B10MAPK1HTTL3MBTL1
SCHEMBL15538457 0.77 ALDH1A1 (0.73) ALDH1A1HSD17B10MAPK1HTTL3MBTL1
SCHEMBL10114208 0.75 KMT2A (0.56) IMPDH2QPCTKMT2AALDH1A1HSD17B10
SCHEMBL5126985 0.74 QPCT (0.71) IMPDH2QPCTKMT2AALDH1A1HTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2082041-B1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2018-03-14 EP disclosed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US disclosed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
EP-2581449-A2 Novel genes related to glutaminyl cyclase Probiodrug AG (DE) 2013-04-17 EP disclosed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US disclosed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US disclosed
EP-2481408-A2 New use of glutaminyl cyclase inhibitors Probiodrug AG (DE) 2012-08-01 EP disclosed
US-20120183974-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO disclosed
WO-2008034891-A2 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-03-27 WO disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US 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 (3 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-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, QPCT, GLS2 IMPDH2 859/4885QPCT 2/4885KMT2A 3778/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL IMPDH2 1870/4885QPCT 5/4885KMT2A 591/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL IMPDH2 825/4885QPCT 1/4885KMT2A 1699/4885

“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.