SCHEMBL2248236

SCHEMBL2248236

CC(=O)Nc1cc2c(c([N+](=O)[O-])c1)OCCC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
BAZ2B Q9UIF8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH3A1 P30838 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.79 HTT (0.49) HTTMAPTMAPK1ALDH1A1BAZ2B
SCHEMBL2246833 0.79 HTT (0.49) HTTMAPTMAPK1ALDH1A1BAZ2B
SCHEMBL2247139 0.77 HTT (0.48) HTTMAPTMAPK1ALDH1A1BAZ2B
SCHEMBL31009404 0.76 MAPT (0.35) MAPTMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL17659164 0.76 GPR35 (0.43) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL29739434 0.74 MAPT (0.44) HTTMAPTMAPK1ALDH1A1NPC1
SCHEMBL2241580 0.74 MAPT (0.44) HTTMAPTMAPK1ALDH1A1NPC1
SCHEMBL6638146 0.74 PARP1 (0.42) MAPTMAPK1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27303263 0.71 HTT (0.59) HTTMAPTMAPK1ALDH1A1SMN1; SMN2
Carbamic Acid SCHEMBL26633282 0.71 MAPT (0.41) HTTMAPTALDH1A1NPC1RAB9A

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 4356/4885MAPT 4035/4885MAPK1 2543/4885

“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.