SCHEMBL3972209

SCHEMBL3972209

O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.70
TSHR P16473 4/20 0.70
HTT P42858 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 2/20 0.70
HPGD P15428 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.67
PKM P14618 1/20 0.67
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAPGEF4 Q8WZA2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MCOLN3 Q8TDD5 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL429849 0.82 HTR6 (1.00) HTR6TSHRHTTMEN1KMT2A
SCHEMBL29558135 0.82 HTR6 (1.00) HTR6TSHRHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL28794299 0.81 HTR6 (0.96) HTR6TSHRHTTMEN1KMT2A
SCHEMBL4862697 0.80 HTT (1.00) HTR6TSHRHTTMEN1KMT2A
SCHEMBL29414854 0.80 HTR6 (0.75) HTR6TSHRHTTMEN1KMT2A
SCHEMBL1673252 0.80 HTR6 (0.75) HTR6TSHRHTTMEN1KMT2A
SCHEMBL3967709 0.80 HTR6 (0.75) HTR6TSHRHTTMEN1KMT2A
SCHEMBL9587047 0.80 HTR6 (0.75) HTR6TSHRHTTMEN1KMT2A
SCHEMBL31663420 0.80 HTR6 (0.81) HTR6TSHRHTTMEN1KMT2A
SCHEMBL3965144 0.80 HTR6 (0.70) HTR6TSHRHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP claimed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 WO claimed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-11 US disclosed
CN-1717233-A 4-(1-(sulfonyl)-1H-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER REC TECH LTD (GB) 2006-01-04 CN disclosed
EP-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP disclosed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 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 (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-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 HTR6 1460/4885TSHR 333/4885HTT 1550/4885

“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.