SCHEMBL507844

SCHEMBL507844

COc1ccc(F)cc1.OBO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.61
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ACHE P22303 1/20 0.46
NQO2 P16083 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.45
LTA4H P09960 1/20 0.44
ESR2 Q92731 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ENPP2 Q13822 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
SCHEMBL7024215 0.89
SCHEMBL8298 0.89
Water SCHEMBL28134264 0.87 NFE2L2 (0.70) NFE2L2MAOAMAOBCA1CA2
1,4-Dimethoxybenzene SCHEMBL4957328 0.87 CA1 (0.73) CA1CA2CA12CA7CA9
SCHEMBL3607576 0.82 NPC1 (0.64) NFE2L2MAOAMAOBCA1CA2
SCHEMBL5175480 0.82 NFE2L2 (0.64) NFE2L2MAOAMAOBCA1CA2
Acetic Acid SCHEMBL27597246 0.81 NFE2L2 (0.57) NFE2L2MAOAMAOBCA1CA2
SCHEMBL28123517 0.79 NFE2L2 (0.55) NFE2L2MAOAMAOBCA1CA2
SCHEMBL10709297 0.78 NFE2L2 (0.53) NFE2L2MAOAMAOBCA1CA2
SCHEMBL21605339 0.78 LMNA (0.66) NFE2L2CA1CA2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8415394-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (GB) 2013-04-09 US disclosed
US-8349897-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2013-01-08 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2011-06-23 US disclosed
EP-1937633-B8 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-12-22 EP disclosed
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007039741-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 NFE2L2 2805/4885MAOA 156/4885MAOB 160/4885
US-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD NFE2L2 584/4885MAOA 123/4885MAOB 371/4885
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD NFE2L2 584/4885MAOA 123/4885MAOB 371/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A NFE2L2 1340/4885MAOA 86/4885MAOB 63/4885
US-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 NFE2L2 754/4885MAOA 1475/4885MAOB 594/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NFE2L2 2522/4885MAOA 170/4885MAOB 194/4885

“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.