SCHEMBL4309788

SCHEMBL4309788

O=S(=O)(c1ccc(Br)cc1)n1c(N2CCNCC2)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 13/20 0.45
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DRD3 P35462 2/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 1/20 0.39

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
Hydrochloric Acid SCHEMBL6518308 0.99 HTR6 (0.44) PKMMEN1HTTKMT2AL3MBTL1
SCHEMBL4304442 0.90 HTR6 (0.54) PKMHTR6CA12CA2CA9
Hydrochloric Acid SCHEMBL6521806 0.89 HTR6 (0.53) PKMHTR6CA12CA2CA9
Hydrochloric Acid SCHEMBL4316251 0.89 HTR6 (0.53) PKMHTR6CA12CA2CA9
SCHEMBL17422147 0.88 ALOX5 (0.52) PKMHTTHTR6LMNAALOX5
SCHEMBL4316005 0.88 MAPT (0.51) PKMHTTL3MBTL1HTR6MAPT
Hydrochloric Acid SCHEMBL6518351 0.87 HTR6 (0.50) PKMHTTHTR6MAPT
SCHEMBL4317729 0.86 HTR6 (0.45) PKML3MBTL1HTR6CA12CA2
Hydrochloric Acid SCHEMBL6519613 0.85 HTR6 (0.44) PKML3MBTL1HTR6CA12CA2
SCHEMBL4312512 0.85 NOD1 (0.50) PKMKMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US claimed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
CN-101298433-A 2-, 3-, 4-, or 5-substituted-n1-(benzensulfonyl)indoles and their use in therapy BIOVITRUM AB (SE) 2008-11-05 CN disclosed
CN-100378074-C 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2008-04-02 CN disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 CN disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A PKM 3560/4885MEN1 2265/4885HTT 465/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A PKM 3206/4885MEN1 2008/4885HTT 420/4885

“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.