SCHEMBL1995998

SCHEMBL1995998

O=S(=O)(c1ccccc1)n1ccc2cc(O)c(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DRD3 P35462 1/20 0.50
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47

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
SCHEMBL20841427 0.88 HTR6 (0.63) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL30159025 0.80 HTR6 (0.56) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL1996422 0.80 HTR6 (0.62) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL23971273 0.79 HTR6 (0.54) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL1996380 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL426117 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL17597401 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL29560090 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL30229563 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL422890 0.78 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA

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-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
CN-101547927-A 8-sulfonyl-l, 3, 4, 8-tetrahydr0-2h- [1, 4] oxazepino [6, 7-e] indole derivatives and their use as 5-ht6 receptor ligands BIOVITRUM AB PUBL (SE) 2009-09-30 CN disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 CN disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885MEN1 623/4885KMT2A 3558/4885
US-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885MEN1 1222/4885KMT2A 4369/4885

“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.