SCHEMBL3620079

SCHEMBL3620079

O=C(Oc1cn(S(=O)(=O)c2ccccc2C(F)(F)F)c2cccc(CN3CCC3)c12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3624427 0.89 HTR6 (0.48) HTR6
SCHEMBL3614467 0.89 HTR6 (0.40) HTR6ALDH1A1
SCHEMBL3620708 0.88 HTR6 (0.44) HTR6KDM4EALDH1A1TDP1NPSR1
SCHEMBL3617274 0.87 HTR6 (0.52) HTR6KDM4EALDH1A1TDP1RECQL
SCHEMBL3622706 0.85 HTR6 (0.52) HTR6KDM4EALDH1A1TDP1RECQL
SCHEMBL3616454 0.84 HTR6 (0.47) HTR6ALDH1A1
SCHEMBL3618395 0.84 HTR6 (0.43) HTR6
SCHEMBL3626399 0.83 HTR6 (0.47) HTR6ALDH1A1NPSR1
SCHEMBL3619694 0.83 HTR6 (0.43) HTR6
SCHEMBL3620061 0.83 HTR6 (0.45) HTR6KDM4EALDH1A1MEN1KMT2A

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 5 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-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP 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 (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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885KDM4E 3665/4885ALDH1A1 917/4885

“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.