SCHEMBL2245461

SCHEMBL2245461

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MCL1 Q07820 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SRC P12931 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
ABCB1 P08183 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL14141980 0.91 ALDH1A1 (0.59) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10843250 0.88 ALDH1A1 (0.52) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10842362 0.84 MAPT (0.44) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10842798 0.82 CYP1A2 (0.56) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL2923713 0.81 MAPT (0.57) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL10844049 0.81 MAPT (0.49) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL2247143 0.80 MAPT (0.46) KMT2AMEN1MAPTPOLBNPSR1
SCHEMBL30860757 0.80 ALDH1A1 (0.47) KMT2AMEN1MAPTPOLBNPSR1
SCHEMBL15552841 0.79 NPSR1 (0.48) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL2241580 0.78 MAPT (0.44) KMT2AMEN1MAPTPOLBNPSR1

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-4599347-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US disclosed
US-4554280-A ANTISECRETORY AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-11-19 US disclosed
US-4435406-A 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1984-03-06 US 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 1065/4885MEN1 3240/4885MAPT 4035/4885

“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.