SCHEMBL3044183

SCHEMBL3044183

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
ALOX15 P16050 2/20 0.44
GPR35 Q9HC97 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FBP1 P09467 1/20 0.34
BACE1 P56817 1/20 0.34
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26325 0.77 TSHR (0.48) ALDH1A1TSHRALOX15GPR35TP53
Water SCHEMBL28995322 0.75 TSHR (0.46) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL6257261 0.75 SNCA (0.33) TSHRMEN1LMNAHTTKMT2A
SCHEMBL387257 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1FBP1MEN1
SCHEMBL441113 0.75 TSHR (0.45) ALDH1A1TSHRGPR35MAPK1FBP1
SCHEMBL590426 0.75 TDP1 (0.44) ALDH1A1TSHRSMN1; SMN2FBP1HIF1A
SCHEMBL2131010 0.75 S100A4 (0.34) ALDH1A1TSHRCYP3A4MEN1LMNA
SCHEMBL6904635 0.75 ALDH1A1 (0.44) ALDH1A1TSHRALOX15MAPK1CYP3A4
SCHEMBL8121072 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4827704 0.75 CASP6 (0.50) TSHRTP53MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768796-A Novel pyrazole-3-carboxamide derivative and preparation method and application thereof 河北农业大学 2023-09-19 CN claimed
CN-115531610-A Fiber composite membrane, preparation method and application thereof 贵州医科大学附属医院 2022-12-30 CN claimed
EP-0960084-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1999-12-01 EP claimed
WO-1998033751-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1998-08-06 WO claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
CN-116768796-A Novel pyrazole-3-carboxamide derivative and preparation method and application thereof 河北农业大学 2023-09-19 CN disclosed
CN-115531610-A Fiber composite membrane, preparation method and application thereof 贵州医科大学附属医院 2022-12-30 CN disclosed
CN-113121517-A Triazole derivative and preparation method and application thereof 中山大学 2021-07-16 CN disclosed
CN-108760707-B Application of probe reagent 贵州大学 2021-02-02 CN 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
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-0960084-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1999-12-01 EP disclosed
WO-1998033751-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1998-08-06 WO disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 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 ALDH1A1 2418/4885TSHR 3533/4885ALOX15 1099/4885

“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.