SCHEMBL3936672

SCHEMBL3936672

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCc3c([nH]c4ccccc34)C1)O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
KMT2A Q03164 5/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTR5A P47898 1/20 0.44
MEN1 O00255 4/20 0.44
DHFR P00374 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 2/20 0.42
GAA P10253 1/20 0.42
GRIN2B Q13224 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL13592919 0.86 HTR1A (0.44) HTR1ASIGMAR1KMT2AOPRM1OPRD1
SCHEMBL3934278 0.85 TRPV1 (0.46) HTR1ASIGMAR1KMT2AOPRM1OPRD1
SCHEMBL6984897 0.80 DRD3 (0.38) HTR1AKMT2AMEN1DHFRKDM4E
SCHEMBL6981092 0.78 DRD3 (0.34) KMT2AOPRM1MEN1GAA
SCHEMBL3941461 0.78 CDK4 (0.48)
Hydrochloric Acid SCHEMBL6982794 0.78 KMT2A (0.35) KMT2AOPRM1MEN1GAA
SCHEMBL8309830 0.77 LMNA (0.40) KMT2AMEN1KDM4E
SCHEMBL6986305 0.76 KDM4E (0.53) HTR1ASIGMAR1KDM4E
Oxalic Acid SCHEMBL6978638 0.75 KDM4E (0.41) HTR1AKMT2AMEN1KDM4EGAA
Hydrochloric Acid SCHEMBL6986239 0.73 ADRA1D (0.46) KMT2AKDM4EATM

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-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-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 HTR1A 1192/4885SIGMAR1 550/4885KMT2A 4517/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 HTR1A 1662/4885SIGMAR1 908/4885KMT2A 4566/4885

“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.