SCHEMBL3941352

SCHEMBL3941352

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.40
TTPA P49638 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GSTP1 P09211 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 4/20 0.38
PDE4A P27815 1/20 0.37
PDE3A Q14432 1/20 0.37
GSTO1 P78417 1/20 0.36

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
SCHEMBL3940891 0.86 TTPA (0.32) NR1I2TTPA
SCHEMBL3935483 0.84 TTPA (0.38) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL15150901 0.81 NR1I2 (0.48) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL3933202 0.78 PTGS1 (0.64) NR1I2TTPAPTGS1PTGS2CYP1A2
SCHEMBL5672019 0.77 NR1I2 (0.61) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL2176872 0.77 NR1I2 (0.61) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL5672022 0.77 NR1I2 (0.61) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL3934598 0.77 PTGS1 (0.36) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL20819441 0.76 NR1I2 (0.44) NR1I2TTPAMAPTLMNAMEN1
SCHEMBL20819442 0.76 NR1I2 (0.44) NR1I2TTPAMAPTLMNAMEN1

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 NR1I2 273/4885TTPA 2037/4885MAPT 2329/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 NR1I2 353/4885TTPA 1721/4885MAPT 2754/4885
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant CBR3, CYP4F11, CBR1 NR1I2 1823/4885TTPA 559/4885MAPT 4180/4885

“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.