Sugi Predict

Sugi Predict / Compounds / SCHEMBL599832

SCHEMBL599832

SCHEMBL599832

O=C(NCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ MGLL Q99685 3/20 0.59
▸ FAAH O00519 1/20 0.56
▸ TRPV1 Q8NER1 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ FFAR1 O14842 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ADAMTS5 Q9UNA0 1/20 0.52

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
SCHEMBL3757985 0.94 CYP2C9 (0.60) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL11408958 0.89 CYP2C9 (0.62) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL15231555 0.89 CYP2C9 (0.55) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL3765118 0.88 MGLL (0.55) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL17552096 0.86 NPC1 (0.69) MGLLFAAHNPC1RAB9AKMT2A
SCHEMBL28915067 0.86 TAAR1 (0.67) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL229908 0.86 MGLL (0.56) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL21410320 0.86 MGLL (0.56) CYP2C9CYP2C19MGLLFAAHTRPV1
SCHEMBL21329860 0.86 GAA (0.66) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL20369602 0.86 MGLL (0.60) CYP2C9CYP2C19MGLLFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455234-B1 SECO MACROLIDE COMPOUNDS SELVITA D O O (HR) 2026-04-01 — — EP disclosed
CN-115477634-B Analgesic compounds and medical uses thereof 中国人民解放军军事科学院军事医学研究院 2024-02-13 — — CN disclosed
CN-115477634-A Compound for analgesia and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-16 — — CN disclosed
US-11512096-B2 Seco macrolide compounds SELVITA D.O.O. (HR) 2022-11-29 — — US disclosed
CN-109311929-B SECO macrolide compounds 塞尔维塔公司 2022-10-04 — — CN disclosed
CN-112159401-B Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-06-03 — — CN disclosed
US-20210198278-A1 SECO MACROLIDE COMPOUNDS SELVITA D.O.O. (HR) 2021-07-01 — — US disclosed
US-10919910-B2 Seco macrolide compounds FIDELTA D.O.O. (HR) 2021-02-16 — — US disclosed
EP-3455234-A1 SECO MACROLIDE COMPOUNDS Fidelta d.o.o. (HR) 2019-03-20 — — EP disclosed
WO-2018129393-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 — — WO disclosed
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 — — CN disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 — — CN disclosed
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 — — EP disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 — — US disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 — — CN disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 — — US disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 — — EP disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 — — US disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 — — WO disclosed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 — — CN 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 (5 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-20210198278-A1 SECO MACROLIDE COMPOUNDS SEC61B, SEC16A, SEC61A1 CYP2C9 190/4885CYP2C19 189/4885MGLL 104/4885
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA CYP2C9 1280/4885CYP2C19 1414/4885MGLL 3124/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD CYP2C9 1248/4885CYP2C19 1358/4885MGLL 3064/4885
US-11512096-B2 Seco macrolide compounds SEC61B, SEC16A, SEC61A1 CYP2C9 190/4885CYP2C19 189/4885MGLL 104/4885
US-10919910-B2 Seco macrolide compounds SEC61B, SEC16A, SEC61A1 CYP2C9 190/4885CYP2C19 189/4885MGLL 104/4885

“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.