Sugi Predict

Sugi Predict / Compounds / SCHEMBL88059

SCHEMBL88059

SCHEMBL88059

N#Cc1ccccc1Cn1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 1.00
▸ CYP11B1 P15538 8/20 0.66
▸ CYP11B2 P19099 7/20 0.61
▸ POLB P06746 2/20 0.58
▸ TBXAS1 P24557 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ QPCT Q16769 1/20 0.54
▸ CYP4Z1 Q86W10 1/20 0.54
▸ QPCTL Q9NXS2 1/20 0.54
▸ FNTA P49354 2/20 0.53
▸ FNTB P49356 2/20 0.53
▸ PGGT1B P53609 2/20 0.53
▸ CYP17A1 P05093 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL1507826 0.98 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2POLBTBXAS1
Acetic Acid SCHEMBL2789778 0.90 CYP19A1 (0.81) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL11387112 0.84 CYP19A1 (0.72) CYP19A1CYP11B1POLBTBXAS1MAPT
SCHEMBL30523908 0.84 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL30523909 0.84 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL15179016 0.84 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL10417519 0.83 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2POLBTBXAS1
Hydrochloric Acid SCHEMBL1508037 0.82 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL22572354 0.81 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2POLBTBXAS1
SCHEMBL7841243 0.81 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2POLBFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 — — EP claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 — — WO claimed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 — — EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 — — EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 — — WO claimed
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-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 — — US disclosed
EP-2301931-B1 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-10-16 — — EP 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
EP-2481408-A2 New use of glutaminyl cyclase inhibitors Probiodrug AG (DE) 2012-08-01 — — EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 — — WO disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 — — US disclosed
EP-1620091-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2006-02-01 — — EP disclosed
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 — — US disclosed
WO-2004098591-A2 INHIBITORS OF GLUTAMINYL CYCLASE AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES PROBIODRUG AG (DE) 2004-11-18 — — WO disclosed
US-20040224875-A1 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2004-11-11 — — US disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 — — 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 CYP19A1 4571/4885CYP11B1 4176/4885CYP11B2 3820/4885
US-20040224875-A1 Inhibitors of glutaminyl cyclase GLS2, GLS, GLUL CYP19A1 868/4885CYP11B1 400/4885CYP11B2 631/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL CYP19A1 2083/4885CYP11B1 709/4885CYP11B2 959/4885

“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.