SCHEMBL507052

SCHEMBL507052

OC(=S)c1ccc(C2CCCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.53
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 1/20 0.52
DEGS1 O15121 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
KMO O15229 1/20 0.44
ACMSD Q8TDX5 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SERPINE1 P05121 1/20 0.41
NAMPT P43490 1/20 0.41
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL12813898 1.00 HAO1 (0.53) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL9054780 0.85 HAO1 (0.47) HAO1HDAC8HDAC6HDAC1DEGS1
Hydrogen Peroxide SCHEMBL11391495 0.84 HAO1 (0.55) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL507535 0.82 HDAC8 (0.50) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL16526980 0.82 HDAC8 (0.50) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL22291720 0.79 KMO (0.62) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL354930 0.79 KMO (0.62) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL6275125 0.79 HDAC8 (0.52) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL15260520 0.79 HDAC8 (0.52) HAO1HDAC8HDAC6HDAC1DEGS1
SCHEMBL28584923 0.79 HDAC8 (0.52) HAO1HDAC8HDAC6HDAC1DEGS1

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
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
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-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
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 HAO1 2802/4885HDAC8 1964/4885HDAC6 1861/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HAO1 2009/4885HDAC8 3914/4885HDAC6 2510/4885

“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.