SCHEMBL6598227

SCHEMBL6598227

O=S1(=O)c2cccc3cccc(c23)N1CCCBr

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
NPC1 O15118 1/20 0.63
HPGD P15428 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
POLB P06746 1/20 0.58
HTR7 P34969 4/20 0.58
HTR1A P08908 2/20 0.55

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
SCHEMBL8880294 0.95 KDM4E (0.69) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL8881466 0.94 KDM4E (0.67) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL14288509 0.86 KDM4E (0.85) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL9757630 0.85 KDM4E (0.71) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL9635395 0.85 KDM4E (0.68) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL14288510 0.84 KDM4E (0.81) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL14288497 0.81 KDM4E (1.00) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL21857973 0.81 KDM4E (0.72) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL9635285 0.81 KDM4E (0.72) KDM4EHSD17B10ALDH1A1TDP1NPC1
SCHEMBL14825304 0.80 KDM4E (1.00) KDM4EHSD17B10ALDH1A1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299384-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-03-24 EP disclosed
US-20030162792-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-08-28 US disclosed
WO-1997046525-A1 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-12-11 WO disclosed
US-5654431-A EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-08-05 US 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 (1 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-20030162792-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, SLC6A3, HTR3C KDM4E 1990/4885HSD17B10 1337/4885ALDH1A1 792/4885

“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.