SCHEMBL2249641

SCHEMBL2249641

CC(=O)Nc1cc2c(c([N+](=O)[O-])c1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 6/20 0.43
MAPK1 P28482 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2247139 0.99 HTT (0.48) HTTALDH1A1MAPTMAPK1BAZ2B
SCHEMBL2246833 0.97 HTT (0.49) HTTALDH1A1MAPTMAPK1BAZ2B
SCHEMBL2248236 0.79 HTT (0.45) HTTALDH1A1MAPTMAPK1BAZ2B
SCHEMBL8620867 0.77 MAPT (0.48) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL27303263 0.75 HTT (0.59) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL2246040 0.75 MAPT (0.51) HTTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6842000 0.74 MAPT (0.43) HTTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5310380 0.74 HTT (0.55) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL12364937 0.74 BAZ2B (0.48) ALDH1A1MAPTBAZ2BSMN1; SMN2NPC1
SCHEMBL2250541 0.74 MAPT (0.50) HTTALDH1A1MAPTSMN1; SMN2NPC1

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 3 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
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

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 4356/4885ALDH1A1 512/4885MAPT 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.