SCHEMBL476964

SCHEMBL476964

CCCCCn1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
ACHE P22303 3/20 0.46
CNR2 P34972 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
PABPC1 P11940 1/20 0.41
SLC9A1 P19634 3/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NOS1 P29475 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
SCHEMBL6118688 0.90 TDP1 (0.44) TDP1PABPC1HTTGAAALDH1A1
SCHEMBL3686407 0.84 TDP1 (0.47) TDP1HTTSMN1; SMN2GAAALDH1A1
SCHEMBL27228011 0.83 TDP1 (0.46) TDP1HTTGAAALDH1A1LMNA
SCHEMBL30861009 0.83 TDP1 (0.46) TDP1HTTGAAALDH1A1LMNA
SCHEMBL27227989 0.82 TDP1 (0.44) TDP1HTTGAAALDH1A1LMNA
SCHEMBL27227825 0.82 LMNA (0.43) TDP1HTTSMN1; SMN2GAAALDH1A1
SCHEMBL6123468 0.81 TDP1 (0.41) TDP1HTTGAAALDH1A1LMNA
SCHEMBL14910632 0.81 TDP1 (0.41) TDP1HTTGAAALDH1A1LMNA
SCHEMBL6069156 0.81 ALDH1A1 (0.44) CNR1CNR2TDP1PABPC1HTT
SCHEMBL30860975 0.81 TDP1 (0.41) TDP1HTTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
EP-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2009050218-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050244-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050221-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050243-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 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-20100120883-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R CNR1 439/4885ACHE 2390/4885CNR2 351/4885

“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.