SCHEMBL76361

SCHEMBL76361

S=C(NCCCn1ccnc1)Nc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 19/20 1.00
MAOB P27338 3/20 0.64
ALDH1A1 P00352 1/20 0.64
QPCTL Q9NXS2 1/20 0.62
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAOA P21397 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
SCHEMBL77509 0.94 QPCT (1.00) QPCTMAOBALDH1A1QPCTL
SCHEMBL3631839 0.80 QPCTL (0.73) QPCTMAOBALDH1A1QPCTLMAOA
SCHEMBL10144444 0.80 QPCTL (0.73) QPCTMAOBALDH1A1QPCTLMAOA
SCHEMBL3667330 0.80 QPCTL (0.73) QPCTMAOBALDH1A1QPCTLMAOA
SCHEMBL9239594 0.79 ALOX15 (0.88) QPCTALDH1A1KMT2ASMN1; SMN2
SCHEMBL76301 0.79 QPCT (1.00) QPCTMAOBALDH1A1QPCTLKMT2A
SCHEMBL76779 0.78 QPCT (1.00) QPCTMAOBALDH1A1QPCTLKMT2A
SCHEMBL29410444 0.77 QPCT (1.00) QPCTMAOBQPCTL
SCHEMBL76693 0.77 QPCT (1.00) QPCTMAOBQPCTL
SCHEMBL21637747 0.77 SMN1; SMN2 (0.64) QPCTALDH1A1KMT2ASMN1; SMN2

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 18 patents. 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-20120183974-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-07-19 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-8129160-B2 Method of screening for inhibitors of glutaminyl cyclase activity PROBIODRUG AG (DE) 2012-03-06 US 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-20100009337-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-01-14 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-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-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
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 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 (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 2442/4885ALDH1A1 3088/4885
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 1280/4885ALDH1A1 2912/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS QPCT 1/4885MAOB 2665/4885ALDH1A1 3869/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL QPCT 1/4885MAOB 2608/4885ALDH1A1 4067/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL QPCT 5/4885MAOB 1576/4885ALDH1A1 1674/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL QPCT 5/4885MAOB 1576/4885ALDH1A1 1674/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL QPCT 1/4885MAOB 3147/4885ALDH1A1 4013/4885

“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.