SCHEMBL520467

SCHEMBL520467

CNc1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
HTT P42858 1/20 0.48
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
CHEK1 O14757 2/20 0.46
THRB P10828 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
ALOX5 P09917 1/20 0.43

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
Hydrochloric Acid SCHEMBL11794578 0.98 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL8540751 0.87 ALDH1A1 (0.50) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL12643251 0.86 ALDH1A1 (0.59) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL10915469 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL2831747 0.85 ALDH1A1 (0.54) ALDH1A1TDP1LMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL20984139 0.83 ALDH1A1 (0.52) ALDH1A1TDP1LMNAMAPTL3MBTL1
Bromide SCHEMBL20984477 0.83 ALDH1A1 (0.52) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL20718866 0.82 ALDH1A1 (0.56) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL14166115 0.82 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTL3MBTL1
Nitric Acid SCHEMBL20984836 0.81 ALDH1A1 (0.50) ALDH1A1TDP1LMNAMAPTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885TDP1 1698/4885LMNA 3783/4885

“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.