Sugi Predict

Sugi Predict / Compounds / SCHEMBL3547532

SCHEMBL3547532

SCHEMBL3547532

O=C(N[C@H]1CC[C@H](O)C1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.68
▸ GAA P10253 1/20 0.68
▸ TSHR P16473 1/20 0.65
▸ EPHX1 P07099 1/20 0.58
▸ TLR4 O00206 1/20 0.57
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ DPP4 P27487 3/20 0.53
▸ DPP7 Q9UHL4 3/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ CPB1 P15086 2/20 0.52
▸ HSD11B1 P28845 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ ACHE P22303 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
SCHEMBL4754108 1.00 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL29248519 1.00 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL1182961 1.00 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL14905635 1.00 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL2206808 0.92 EPHX1 (0.62) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL21677225 0.92 EPHX1 (0.62) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL15046804 0.92 EPHX1 (0.66) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL22042534 0.92 EPHX1 (0.62) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL19619011 0.92 EPHX1 (0.62) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL851220 0.91 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2023-12-07 — — US disclosed
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 — — EP disclosed
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 — — US disclosed
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 — — US disclosed
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 — — WO disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 — — US disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 — — US disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 — — US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 — — US disclosed
US-7452893-B2 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists MERCK & CO., INC. (US) 2008-11-18 — — US disclosed
EP-1656379-B1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2007-01-10 — — EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 — — US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 — — EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 — — EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 — — US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 — — US disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 — — WO disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 — — US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 — — EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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 (6 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA ALDH1A1 1764/4885GAA 376/4885TSHR 1893/4885
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 ALDH1A1 1623/4885GAA 3764/4885TSHR 220/4885
US-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY AVPR1B, CRH, CRHR1 ALDH1A1 3464/4885GAA 3322/4885TSHR 356/4885
US-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 ALDH1A1 1651/4885GAA 1204/4885TSHR 2343/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA ALDH1A1 1603/4885GAA 270/4885TSHR 2155/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR ALDH1A1 2307/4885GAA 1541/4885TSHR 2330/4885

“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.