SCHEMBL632435

SCHEMBL632435

O=[N+]([O-])c1ccccc1C1(O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11011373 0.81 HTT (0.44) TDP1GPR35HSD17B10KMT2AHTT
SCHEMBL29065566 0.81 ALDH1A1 (0.38) LMNATDP1GPR35HSD17B10ALDH1A1
SCHEMBL24549652 0.81 TDP1 (0.38) LMNATDP1GPR35ALDH1A1MEN1
SCHEMBL6644154 0.78 ATM (0.49) LMNATDP1ALDH1A1MEN1KMT2A
SCHEMBL5368690 0.75 AKR1C1 (0.49) LMNATDP1GPR35ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6798340 0.74 LMNA (0.42) LMNATDP1HSD17B10CTDSP1ALDH1A1
Hydrochloric Acid SCHEMBL6798330 0.74 SLC6A3 (0.51) LMNAGPR35CTDSP1ALDH1A1TSHR
SCHEMBL7805350 0.74 MAPK1 (0.38) LMNATDP1GPR35HSD17B10ALDH1A1
SCHEMBL9125609 0.74 ALDH1A1 (0.43) TDP1GPR35HSD17B10ALDH1A1MEN1
SCHEMBL5370966 0.73 ALDH1A1 (0.40) LMNATDP1GPR35HSD17B10ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
EP-1856070-B1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
EP-1911749-B1 New long-working Beta-2 agonists and their use as medicine BOEHRINGER INGELHEIM INT (DE) 2010-10-27 EP disclosed
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7709474-B2 Enantiomerically pure beta agonists, manufacturing and use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-04 US disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
EP-2094271-A2 DRUG COMBINATIONS FOR TREATING AIRWAY DISEASES Boehringer Ingelheim International GmbH (DE) 2009-09-02 EP disclosed
EP-2057134-A1 SINGLE ENANTIOMER BETA AGONISTS METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2056836-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-1856070-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-11-21 EP disclosed
US-20070066609-A1 Long acting beta-2-agonists and their use as medicaments BOUYSSOU THIERRY 2007-03-22 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
EP-1711480-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-18 EP disclosed
WO-2006089859-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005070908-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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 (6 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-20070066609-A1 Long acting beta-2-agonists and their use as medicaments ADRB2, ADRB1, CHRM1 LMNA 2885/4885TDP1 4066/4885GPR35 237/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 LMNA 1248/4885TDP1 3897/4885GPR35 112/4885
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS ADRB2, ADRB3, ADRB1 LMNA 2503/4885TDP1 4479/4885GPR35 50/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 LMNA 357/4885TDP1 3439/4885GPR35 229/4885
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES CFTR, SDHA, HRH1 LMNA 1101/4885TDP1 3396/4885GPR35 185/4885
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases CFTR, SDHA, HRH1 LMNA 1101/4885TDP1 3396/4885GPR35 185/4885

“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.