SCHEMBL3611095

SCHEMBL3611095

C=Cc1cccc2c1ccn2S(=O)(=O)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.55
RAPGEF4 Q8WZA2 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HTR6 P50406 10/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL3623011 0.88 FABP4 (0.56) FABP4RAPGEF4HDAC3HDAC4HDAC1
SCHEMBL3619658 0.81 HTR6 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3622901 0.80 KDM4E (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3625322 0.80 FABP4 (0.59) FABP4RAPGEF4HTR6CYP3A4CYP2D6
SCHEMBL4021608 0.78 HDAC3 (0.51) FABP4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3619645 0.77 RECQL (0.50) FABP4HTR6
SCHEMBL28520942 0.76 FABP4 (0.55) FABP4RAPGEF4HTR6CYP3A4CYP2D6
SCHEMBL31492075 0.76 PARP1 (0.46) FABP4HDAC3HDAC4HDAC1HDAC7
SCHEMBL28781696 0.75 HDAC3 (0.55) FABP4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3613863 0.75 HTR6 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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 FABP4 2561/4885RAPGEF4 1182/4885HDAC3 1122/4885

“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.