SCHEMBL3047388

SCHEMBL3047388

O=[N+]([O-])c1[c]ccc(O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
S100A4 P26447 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
HIF1A Q16665 1/20 0.32
CTSB P07858 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6208168 0.82 GPR35 (0.39) GPR35S100A4ALDH1A1TP53HPGD
SCHEMBL18478 0.78 TSHR (0.42) GPR35ALDH1A1TSHRMAPK1TDP1
SCHEMBL10731966 0.77 ALDH1A1 (0.39) ALDH1A1TP53TSHRSMN1; SMN2TDP1
SCHEMBL301080 0.76 TDP1 (0.34) ALDH1A1TDP1CYP3A4HIF1A
SCHEMBL9789548 0.76 ALDH1A1 (0.42) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL3042315 0.73 GPR35 (0.42) GPR35S100A4ALDH1A1TP53HPGD
SCHEMBL4363348 0.73 GPR35 (0.60) GPR35S100A4ESR1ESR2MCL1
SCHEMBL6676890 0.72 GPR35 (0.52) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL7646276 0.72 ABCC8 (0.36) ALDH1A1TDP1
SCHEMBL7709814 0.71 GPR35 (0.38) GPR35S100A4ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079757-B1 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS UGICHEM GES FÜR ORGANISCHE CHEMIE MBH (AT) 2014-12-17 EP claimed
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US claimed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 US claimed
CN-101547934-A Process for selectively localizing active ingredients on and in mitochondria and corresponding active ingredients UGICHEM GES FUER ORGANISCHE CH (AT) 2009-09-30 CN claimed
JP-11106367-A None JP disclosed
JP-5363327-B2 2013-12-11 JP disclosed
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 US disclosed
CN-101547934-A Process for selectively localizing active ingredients on and in mitochondria and corresponding active ingredients UGICHEM GES FUER ORGANISCHE CH (AT) 2009-09-30 CN disclosed
CN-101547934-A Process for selectively localizing active ingredients on and in mitochondria and corresponding active ingredients UGICHEM GES FUER ORGANISCHE CH (AT) 2009-09-30 CN disclosed
EP-2079757-A2 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS Ugichem Gesellschaft Für Organische Chemie MbH (AT) 2009-07-22 EP disclosed
EP-2079757-A2 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS Ugichem Gesellschaft Für Organische Chemie MbH (AT) 2009-07-22 EP disclosed
WO-2008049583-A3 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS UGICHEM GES FUER ORGANISCHE CH (AT) 2009-04-16 WO disclosed
WO-2008049583-A2 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS Ugichem Gesellschaft für Organische Chemie mbH (AT) 2008-05-02 WO disclosed
WO-2008049583-A2 PROCESS FOR SELECTIVELY LOCALIZING ACTIVE INGREDIENTS ON AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE INGREDIENTS Ugichem Gesellschaft für Organische Chemie mbH (AT) 2008-05-02 WO disclosed
JP-H11106367-A PRODUCTION OF BIS(3-AMINO-4-HYDROXYPHENYL) COMPOUNDS NIPPON KAYAKU CO LTD 1999-04-20 JP disclosed
EP-0201417-A1 Surfactant composition, process for its preparation and its use RHONE-POULENC CHIMIE (FR) 1986-11-12 EP 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 (1 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-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS TFB2M, TFAM, SHMT2 GPR35 1586/4885S100A4 1671/4885ESR1 4457/4885

“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.