SCHEMBL2245491

SCHEMBL2245491

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH3A1 P30838 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2249494 0.85 MAPT (0.49) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL12355678 0.81 KMT2A (0.47) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL12355695 0.79 KMT2A (0.45) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL11448181 0.79 MAPT (0.44) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL1999926 0.79 NPSR1 (0.51) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL2246040 0.79 MAPT (0.51) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL2250541 0.77 MAPT (0.50) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL2246987 0.77 KMT2A (0.46) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL6294836 0.76 MAPT (0.51) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL2244691 0.75 MAPT (0.43) MAPTNPSR1HTTKMT2AALDH1A1

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 MAPT 4035/4885NPSR1 1263/4885HTT 4356/4885

“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.