SCHEMBL4865397

SCHEMBL4865397

O=C(CCCCBr)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL11408812 0.98 ATM (0.68) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL9699192 0.98 ATM (0.68) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL10590320 0.98 ATM (0.68) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL10590368 0.96 ATM (0.65) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL20985652 0.96 ATM (0.77) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL20985659 0.93 ATM (0.74) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL6927269 0.91 MEN1 (0.70) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL28366947 0.86 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL27487132 0.86 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL10722542 0.86 ATM (0.85) ATML3MBTL1MEN1KMT2ATDP1

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
CN-100562516-C Amyloid-beta produces and the excretory inhibitor DAIICHI SEIYAKU CO (JP) 2009-11-25 CN 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-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
CN-1585746-A Inhibitors of beta-amyloid production and secretion DAIICHI SEIYAKU CO (JP) 2005-02-23 CN 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 (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-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 ATM 2601/4885L3MBTL1 1792/4885MEN1 2460/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 ATM 3862/4885L3MBTL1 3992/4885MEN1 787/4885

“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.