SCHEMBL261037

SCHEMBL261037

O=C1OCCN1CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 15/20 0.59
KCNH2 Q12809 13/20 0.59
HRH3 Q9Y5N1 3/20 0.56
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL260552 0.85 KCNJ1 (0.56) KCNJ1KCNH2HRH3ALDH1A1LMNA
SCHEMBL29283175 0.81 KCNJ1 (0.61) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL260500 0.79 SIGMAR1 (0.42) SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL13946704 0.79 NAAA (0.53) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28498829 0.79 NAAA (0.52) SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL23728278 0.75 HRH3 (0.66) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL2731306 0.75 KCNJ1 (1.00) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL852960 0.75 KCNJ1 (0.79) KCNJ1KCNH2HRH3MAOASIGMAR1
Hydrochloric Acid SCHEMBL7377279 0.74 HRH3 (0.60) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL17413913 0.74 HDAC3 (0.45) KCNJ1KCNH2HRH3ALDH1A1LMNA

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
US-8653073-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-02-18 US disclosed
US-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2013-12-12 US disclosed
US-8541412-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-09-24 US disclosed
EP-2281822-B1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-16 EP disclosed
US-8133889-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-13 US disclosed
US-20120046287-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-02-23 US disclosed
US-20110034460-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-02-10 US disclosed
EP-2281822-A1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-02-09 EP 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-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP11B1, SDHA, CYP11B2 KCNJ1 3821/4885KCNH2 2600/4885HRH3 922/4885
US-20120046287-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 KCNJ1 3821/4885KCNH2 2600/4885HRH3 922/4885
US-20110034460-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 KCNJ1 3821/4885KCNH2 2600/4885HRH3 922/4885

“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.