SCHEMBL2247139

SCHEMBL2247139

CC(=O)Nc1cc2c(c([N+](=O)[O-])c1)CCCCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
BAZ2B Q9UIF8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2249641 0.99 HTT (0.49) HTTBAZ2BALDH1A1MAPTMAPK1
SCHEMBL2246833 0.96 HTT (0.49) HTTBAZ2BALDH1A1MAPTMAPK1
SCHEMBL2248236 0.77 HTT (0.45) HTTBAZ2BALDH1A1MAPTMAPK1
SCHEMBL2250541 0.75 MAPT (0.50) HTTALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL8620867 0.75 MAPT (0.48) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL12364937 0.75 BAZ2B (0.48) BAZ2BALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL27303263 0.74 HTT (0.59) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL2246040 0.74 MAPT (0.51) HTTALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL6842000 0.73 MAPT (0.43) HTTALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5310380 0.73 HTT (0.55) HTTALDH1A1MAPTMAPK1SMN1; SMN2

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-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

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 HTT 4356/4885BAZ2B 1238/4885ALDH1A1 512/4885

“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.