SCHEMBL224959

SCHEMBL224959

COc1cc(OC2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TXNRD1 Q16881 1/20 0.43
PDE4D Q08499 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
BCL6 P41182 2/20 0.41
BCOR Q6W2J9 2/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL26087309 0.89 ALDH1A1 (0.51) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL29851268 0.85 ALDH1A1 (0.45) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL521437 0.85 ALDH1A1 (0.45) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL29377558 0.84 HRH3 (0.51) ALDH1A1LMNAMAPTHRH3
SCHEMBL21814260 0.84 HRH3 (0.51) ALDH1A1LMNAMAPTHRH3
Hydrochloric Acid SCHEMBL382604 0.84 ALDH1A1 (0.44) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL375364 0.84 SIRT6 (0.57) ALDH1A1LMNASIRT6MAPTTDP1
Hydrochloric Acid SCHEMBL29379635 0.84 ALDH1A1 (0.44) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL29446151 0.84 SIRT6 (0.57) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL23092190 0.83 BCL6 (0.40) ALDH1A1LMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 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 (3 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALDH1A1 3512/4885LMNA 2407/4885SIRT6 4245/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALDH1A1 3512/4885LMNA 2407/4885SIRT6 4245/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X ALDH1A1 416/4885LMNA 1998/4885SIRT6 2050/4885

“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.