SCHEMBL260552

SCHEMBL260552

O=C1OCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.50
GRM2 Q14416 1/20 0.49
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL261037 0.85 KCNJ1 (0.59) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25834645 0.79 KCNJ1 (0.61) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2211793 0.79 SIRT2 (0.59) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11048969 0.79 KDM4E (0.57) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL31011703 0.79 KDM4E (0.57) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29283174 0.78 ALDH1A1 (0.61) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9826473 0.78 CTSB (0.63) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL261529 0.78 ALDH1A1 (0.44) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5315528 0.78 GRM2 (0.53) ALDH1A1GRM2KCNH2POLB
SCHEMBL259624 0.78 GRM2 (0.53) ALDH1A1LMNASMN1; SMN2GRM2KCNH2

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
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
WO-2011015728-A1 NOVEL DIHYDROINDOLONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-02-10 WO 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 3821/4885ALDH1A1 916/4885LMNA 2347/4885
US-20120046287-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 KCNJ1 3821/4885ALDH1A1 916/4885LMNA 2347/4885
US-20110034460-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 KCNJ1 3821/4885ALDH1A1 916/4885LMNA 2347/4885

“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.