SCHEMBL507343

SCHEMBL507343

CS(=O)(=O)OCc1ccc(C(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRM2 Q14416 2/20 0.46
ALDH1A1 P00352 4/20 0.44
NAMPT P43490 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
VNN1 O95497 2/20 0.41
F7 P08709 1/20 0.41

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
SCHEMBL507931 0.84 KMT2A (0.50) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2369395 0.79 BDKRB1 (0.44) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL10829884 0.78 SMN1; SMN2 (0.64) KMT2ALMNATDP1GRM2ALDH1A1
SCHEMBL556847 0.78 CHRNB2 (0.46) TDP1NAMPTL3MBTL1
SCHEMBL10476140 0.77 TBXAS1 (0.49) GRM2
SCHEMBL29595604 0.77 PTGS2 (0.55) LMNAALDH1A1APPGAAHCAR3
SCHEMBL7611883 0.77 LMNA (0.52) KMT2ALMNATDP1GRM2ALDH1A1
SCHEMBL507447 0.76 TDP1 (0.46) KMT2ALMNATDP1GRM2ALDH1A1
SCHEMBL507509 0.76 MKNK1 (0.54) KMT2ALMNATDP1GRM2ALDH1A1
SCHEMBL7008136 0.75 CES2 (0.51) KMT2ALMNATDP1GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
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-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-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
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-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-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
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN 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-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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN 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-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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 KMT2A 1239/4885LMNA 4504/4885TDP1 4267/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KMT2A 1218/4885LMNA 4672/4885TDP1 4109/4885

“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.