SCHEMBL1633792

SCHEMBL1633792

O=C(/C=C/c1ccncc1)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GSK3B P49841 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.39
NAMPT P43490 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL1633794 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL4819930 0.84 PSEN1 (0.45) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL1631936 0.83 PSEN1 (0.47) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL12723996 0.81 PSEN1 (0.49) NAMPTPSEN1PSEN2APH1BNCSTN
SCHEMBL1632461 0.81 PSEN1 (0.45) KMT2ALMNAHTTMEN1NAMPT
SCHEMBL1633197 0.80 GAA (0.52) KMT2ALMNAMEN1GAANAMPT
SCHEMBL1632478 0.79 PSEN1 (0.43) SMN1; SMN2KMT2ALMNAHTTMEN1
SCHEMBL1630821 0.79 PSEN1 (0.46) KMT2AHTTMEN1PSEN1PSEN2
SCHEMBL1630827 0.79 PSEN1 (0.46) KMT2AHTTMEN1PSEN1PSEN2
SCHEMBL12723986 0.79 PSEN1 (0.44) GAANAMPTPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
CN-1812964-A Heterocyclic methyl sulfone derivative DAIICHI SEIYAKU CO (JP) 2006-08-02 CN disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP disclosed
US-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2005-10-20 US disclosed
EP-1466898-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-10-13 EP 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 (3 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS SMN1; SMN2 314/4885HDAC3 1984/4885HDAC1 1194/4885
US-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine APP, PSEN1, PSEN2 SMN1; SMN2 136/4885HDAC3 3241/4885HDAC1 1165/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 SMN1; SMN2 1965/4885HDAC3 4473/4885HDAC1 3881/4885

“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.