SCHEMBL6444477

SCHEMBL6444477

N#CC([C]=O)Oc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 7/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1B P28222 5/20 0.39
HTR1D P28221 2/20 0.39
OGG1 O15527 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PGR P06401 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7345604 0.76 HTR1B (0.44) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL10588548 0.76 HTR1B (0.44) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6447354 0.76 KDM4E (0.42) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6451493 0.74 SLC6A4 (0.40) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6915954 0.73 SLC6A2 (0.48) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6913711 0.72 SLC6A4 (0.43) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL11577421 0.72 KDM4E (0.52) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6712567 0.70 KDM4E (0.44) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL1356983 0.69 HTR1B (0.47) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6913436 0.69 HTR1B (0.46) SLC6A4SLC6A2HTR1BHTR1DNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 SLC6A4 2808/4885SLC6A2 1965/4885KDM4E 3396/4885

“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.