SCHEMBL3621863

SCHEMBL3621863

O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.50
RORC P51449 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL3623386 0.82 HTR6 (0.51) HTR6RORCHTTCA1CA2
SCHEMBL3613851 0.81 HTR6 (0.48) HTR6RORCHTTCA1CA2
SCHEMBL30644286 0.81 HTR6 (0.68) HTR6HTTHTR1AHTR1DHTR1B
SCHEMBL260867 0.81 HTR6 (0.68) HTR6HTTHTR1AHTR1DHTR1B
SCHEMBL28207047 0.80 HTR6 (0.63) HTR6RORCHTTTP53MAPT
SCHEMBL3620066 0.79 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28857521 0.79 RORC (0.57) HTR6RORCHTTCA1CA2
SCHEMBL3620985 0.77 HTR6 (0.59) HTR6
SCHEMBL4319135 0.77 HTR6 (0.72) HTR6HTR1A
Hydrochloric Acid SCHEMBL6518618 0.76 HTR6 (0.71) HTR6HTR1A

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 1/4885RORC 1036/4885PPARG 1458/4885

“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.