SCHEMBL77540

SCHEMBL77540

CNC(=S)NCCCn1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 18/20 1.00
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
GAA P10253 1/20 0.61
MAOB P27338 1/20 0.61
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL10219887 0.86 QPCT (0.89) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16450872 0.84 QPCT (0.72) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL76918 0.84 QPCT (1.00) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28998270 0.84 QPCT (1.00) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14595634 0.81 QPCT (0.68) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14365890 0.81 QPCT (0.68) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3485449 0.81 CYP1A2 (0.71) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16449777 0.80 QPCT (0.70) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806605 0.78 TBXAS1 (0.63) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL49130 0.78 L3MBTL1 (0.66) QPCTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-20120183974-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-8129160-B2 Method of screening for inhibitors of glutaminyl cyclase activity PROBIODRUG AG (DE) 2012-03-06 US disclosed
EP-1713780-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-01-18 EP disclosed
EP-1713780-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-01-18 EP disclosed
US-7732162-B2 Inhibitors of glutaminyl cyclase for treating neurodegenerative diseases PROBIODRUG AG (DE) 2010-06-08 US disclosed
EP-2082041-A2 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-07-29 EP disclosed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 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-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US disclosed
EP-1713780-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2006-10-25 EP disclosed
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 US disclosed
WO-2005075436-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2005-08-18 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 (5 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 QPCT 2/4885CYP1A2 4380/4885CYP3A4 3605/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS QPCT 1/4885CYP1A2 3969/4885CYP3A4 3823/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL QPCT 1/4885CYP1A2 4557/4885CYP3A4 4361/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL QPCT 5/4885CYP1A2 2950/4885CYP3A4 2520/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL QPCT 1/4885CYP1A2 4269/4885CYP3A4 3923/4885

“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.