SCHEMBL3934278

SCHEMBL3934278

Cc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(CN1CCc3c([nH]c4ccccc34)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
HTR1A P08908 1/20 0.43
FAAH O00519 1/20 0.42
KMT2A Q03164 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HTR5A P47898 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3936672 0.85 HTR1A (0.46) HTR1AKMT2AOPRM1OPRD1HTR5A
SCHEMBL13592919 0.84 HTR1A (0.44) HTR1AKMT2AOPRM1OPRD1HTR5A
SCHEMBL3936416 0.80 TRPV1 (0.51) TRPV1FAAH
SCHEMBL8718105 0.74 CYP2C9 (0.35) KMT2AOPRM1SIGMAR1MEN1KDM4E
SCHEMBL8718272 0.73 SMN1; SMN2 (0.36) KMT2AMEN1KDM4EGAA
SCHEMBL21725172 0.69 HTR1A (0.58) HTR1AKMT2ASIGMAR1MEN1KDM4E
SCHEMBL8718309 0.67 HRH3 (0.34) KMT2ASIGMAR1MEN1KDM4EGAA
SCHEMBL1415530 0.67 HTR1A (0.81) HTR1AKMT2ASIGMAR1MEN1KDM4E
SCHEMBL3940891 0.67 TTPA (0.32)
SCHEMBL6369610 0.66 HTR1A (0.71) HTR1AKMT2ASIGMAR1MEN1KDM4E

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 6 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
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 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 (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-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 TRPV1 3851/4885HTR1A 1192/4885FAAH 4864/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 TRPV1 3802/4885HTR1A 1662/4885FAAH 4858/4885

“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.