SCHEMBL3933202

SCHEMBL3933202

Cc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(C(=O)O)CC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
PSEN1 P49768 9/20 0.51
TTPA P49638 2/20 0.45
HNF4A P41235 1/20 0.36
ALOX5 P09917 2/20 0.35
CAPN1 P07384 1/20 0.34
NR1I2 O75469 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
SCHEMBL3932570 0.86 PTGS1 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13933085 0.82 PTGS1 (0.79) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7695563 0.80 PTGS1 (0.71) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL3226 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
(R)-Trolox SCHEMBL615168 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL3241094 0.79 PTGS1 (0.73) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL29375939 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1927837 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1651402 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL4647438 0.79 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-20060247228-A1 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2006-11-02 US disclosed
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant NIPPON SODA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 EP disclosed
EP-1614688-A1 PHENYLAZOLE COMPOUND, PRODUCTION PROCESS, AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2006-01-11 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 (3 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-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 PTGS1 426/4885PTGS2 1767/4885CYP1A2 519/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 PTGS1 725/4885PTGS2 1450/4885CYP1A2 345/4885
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant CBR3, CYP4F11, CBR1 PTGS1 368/4885PTGS2 680/4885CYP1A2 79/4885

“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.