SCHEMBL77755

SCHEMBL77755

COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 19/20 1.00
MAOB P27338 1/20 0.81
QPCTL Q9NXS2 1/20 0.72
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GAA P10253 1/20 0.66

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
SCHEMBL77178 0.89 QPCT (1.00) QPCTMAOBQPCTLKMT2ASMN1; SMN2
SCHEMBL78943 0.89 QPCT (1.00) QPCTMAOBQPCTLKMT2ASMN1; SMN2
SCHEMBL76801 0.86 QPCT (1.00) QPCTMAOBQPCTLKMT2ASMN1; SMN2
SCHEMBL76693 0.84 QPCT (1.00) QPCTMAOBQPCTLGAA
SCHEMBL29410444 0.84 QPCT (1.00) QPCTMAOBQPCTLGAA
Hydrochloric Acid SCHEMBL245685 0.83 QPCT (0.98) QPCTMAOBQPCTLGAA
SCHEMBL76520 0.81 QPCT (1.00) QPCTMAOBQPCTLKMT2ASMN1; SMN2
SCHEMBL2081279 0.81 QPCT (1.00) QPCTMAOBQPCTL
SCHEMBL76779 0.81 QPCT (1.00) QPCTMAOBQPCTLKMT2ASMN1; SMN2
SCHEMBL3634473 0.81 QPCT (1.00) QPCTMAOBQPCTL

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-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
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-7732162-B2 Inhibitors of glutaminyl cyclase for treating neurodegenerative diseases PROBIODRUG AG (DE) 2010-06-08 US disclosed
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES PROBIODRUG AG (DE) 2010-02-18 US disclosed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 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
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 (7 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 2/4885MAOB 2442/4885QPCTL 11/4885
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES QPCT, GLS, GLUL QPCT 1/4885MAOB 1280/4885QPCTL 26/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS QPCT 1/4885MAOB 2665/4885QPCTL 15/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL QPCT 1/4885MAOB 2608/4885QPCTL 6/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL QPCT 5/4885MAOB 1576/4885QPCTL 83/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL QPCT 5/4885MAOB 1576/4885QPCTL 83/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL QPCT 1/4885MAOB 3147/4885QPCTL 2/4885

“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.