SCHEMBL4497809

SCHEMBL4497809

O=Cc1ccc([N+](=O)[O-])c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.70
GPR35 Q9HC97 1/20 0.52
XDH P47989 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46

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
Bicarbonate SCHEMBL27618577 0.93 ERN1 (0.62) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL16838215 0.85 ERN1 (0.61) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL1527066 0.85 ERN1 (0.61) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL17368428 0.83 ERN1 (0.59) ERN1GPR35XDH
SCHEMBL531403 0.83 ERN1 (0.59) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL14092109 0.83 ERN1 (0.59) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL3083253 0.82 GPR35 (0.71) ERN1GPR35
SCHEMBL31145561 0.82 ERN1 (1.00) ERN1GPR35
SCHEMBL21373883 0.82 GPR35 (0.50) ERN1GPR35
SCHEMBL311131 0.82 ERN1 (1.00) ERN1GPR35

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
WO-2013139931-A1 COMPOSITION FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WITH PARKINSONIAN SYNDROMES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2013-09-26 WO claimed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed
CN-112624941-A Method for producing entacapone 海南通用康力制药有限公司 2021-04-09 CN disclosed
CN-107001241-B Novel ascomycete amides 亥姆霍兹感染研究中心有限公司 2020-03-27 CN disclosed
US-10519099-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-12-31 US disclosed
US-10519099-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-12-31 US disclosed
US-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 US disclosed
US-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 US disclosed
US-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 US disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 WO disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5254726-A Reacting aromatic nitroaldehydes having protected hydroxyl groups with labeled fluoride ion THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1993-10-19 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 (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-20170327458-A1 NOVEL CYSTOBACTAMIDES SLC7A11, CTH, CBS ERN1 4611/4885GPR35 1055/4885XDH 1624/4885
US-10519099-B2 Cystobactamides CTH, TST, CBS ERN1 4761/4885GPR35 1930/4885XDH 996/4885

“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.