Sugi Predict

Sugi Predict / Compounds / SCHEMBL533982

SCHEMBL533982

SCHEMBL533982

Cc1cccc(/C=N/O)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.47
▸ FGF23 Q9GZV9 2/20 0.46
▸ LMNA P02545 4/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HPGD P15428 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL533983 1.00 ALOX12 (0.47) ALOX12FGF23LMNATRPA1ATM
SCHEMBL2161592 1.00 ALOX12 (0.47) ALOX12FGF23LMNATRPA1ATM
Ammonia Solution, Strong SCHEMBL27921774 0.98 ALOX12 (0.46) ALOX12FGF23LMNATRPA1ATM
SCHEMBL2160910 0.82 FGF23 (0.53) ALOX12FGF23LMNAHPGDMAPT
SCHEMBL406151 0.82 FGF23 (0.53) ALOX12FGF23LMNAHPGDMAPT
SCHEMBL406150 0.82 FGF23 (0.53) ALOX12FGF23LMNAHPGDMAPT
SCHEMBL5078088 0.81 ALOX12 (0.59) ALOX12FGF23LMNATRPA1HPGD
SCHEMBL17548951 0.81 ALOX12 (0.59) ALOX12FGF23LMNATRPA1HPGD
SCHEMBL11042113 0.81 ALOX12 (0.50) ALOX12FGF23LMNATRPA1ATM
SCHEMBL6825334 0.81 ALOX12 (0.59) ALOX12FGF23LMNATRPA1HPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 — — US claimed
JP-2007501701-A — — 2007-02-01 — — JP claimed
CN-1845789-A Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2006-10-11 — — CN claimed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 — — EP claimed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 — — WO claimed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 — — EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 — — US disclosed
EP-2906553-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-08-19 — — EP disclosed
WO-2014057435-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-04-17 — — WO disclosed
US-8535515-B2 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2013-09-17 — — US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 — — US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 — — EP disclosed
CN-1845789-B Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE 2011-05-11 — — CN disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 — — WO disclosed
EP-1660232-B1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL RAFFINAGE MARKETING (FR) 2009-07-22 — — EP disclosed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 — — US disclosed
CN-1845789-A Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL FRANCE (FR) 2006-10-11 — — CN disclosed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 — — EP disclosed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 — — 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 (2 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR ALOX12 1074/4885FGF23 1266/4885LMNA 3489/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALOX12 2603/4885FGF23 775/4885LMNA 1880/4885

“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.