SCHEMBL2245283

SCHEMBL2245283

CC(=O)OCCC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.46
ADRA2A P08913 5/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL12355694 0.79 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL8667327 0.79 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL2242996 0.78 CHRNB2 (0.35) ADRA2CSMN1; SMN2DRD2
SCHEMBL2241514 0.77 IDO1 (0.54) SMN1; SMN2
SCHEMBL8699077 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6200912 0.77 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL2246074 0.76 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL31683946 0.76 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL2245257 0.76 KMT2A (0.45) SMN1; SMN2
SCHEMBL2246016 0.75 CYP1A2 (0.44) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO 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-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 PNMT 1727/4885ADRA2A 621/4885ADRA2B 705/4885

“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.