SCHEMBL2245257

SCHEMBL2245257

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CC(CCOC(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.39
RECQL P46063 1/20 0.37
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MET P08581 1/20 0.36
PDGFRA P16234 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
SCHEMBL2246987 0.88 KMT2A (0.46) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL12355695 0.85 KMT2A (0.45) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL12355678 0.83 KMT2A (0.47) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL2249494 0.79 MAPT (0.49) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL2245283 0.76 PNMT (0.46) SMN1; SMN2
SCHEMBL2245491 0.75 MAPT (0.52) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL12365884 0.74 ALDH1A1 (0.38) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL2246016 0.74 CYP1A2 (0.44) NPSR1HSP90AA1MAPT
SCHEMBL2242996 0.74 CHRNB2 (0.35) KMT2ASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL11448181 0.73 MAPT (0.44) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1

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 9 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
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 KMT2A 1065/4885SMN1; SMN2 4340/4885POLB 1092/4885

“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.