SCHEMBL4316005

SCHEMBL4316005

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
HTR6 P50406 12/20 0.51
NOD2 Q9HC29 2/20 0.47
NOD1 Q9Y239 2/20 0.47
ALDH3A1 P30838 3/20 0.44
CXCL8 P10145 1/20 0.44
PKM P14618 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
CCR2 P41597 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL6518351 0.99 HTR6 (0.50) MAPTHTR6NOD2NOD1ALDH3A1
SCHEMBL4304442 0.90 HTR6 (0.54) HTR6PKMHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL6521806 0.89 HTR6 (0.53) HTR6PKMHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4316251 0.89 HTR6 (0.53) HTR6PKMHTR1ADRD2HTR7
SCHEMBL4309788 0.88 PKM (0.45) MAPTHTR6PKMHTTL3MBTL1
SCHEMBL17422147 0.88 ALOX5 (0.52) HTR6NOD2NOD1ALDH3A1CXCL8
Hydrochloric Acid SCHEMBL6518308 0.87 HTR6 (0.44) MAPTHTR6PKMHTTL3MBTL1
SCHEMBL4317729 0.86 HTR6 (0.45) HTR6PKMDRD2L3MBTL1
SCHEMBL4312512 0.85 NOD1 (0.50) HTR6NOD2NOD1PKMHTR1A
SCHEMBL4315943 0.85 LTA4H (0.48) HTR6PKMHTR1AALDH1A1

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 10 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
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A MAPT 2795/4885HTR6 1/4885NOD2 1382/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A MAPT 2903/4885HTR6 1/4885NOD2 1251/4885

“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.