SCHEMBL6447351

SCHEMBL6447351

N#C[CH]COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.51
HTR1B P28222 11/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1D P28221 3/20 0.46
SLC6A4 P31645 2/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NR2E1 Q9Y466 1/20 0.44
OGG1 O15527 1/20 0.43

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
SCHEMBL1394420 0.80 HTR1B (0.58) KCNA3HTR1BKDM4EALDH1A1HPGD
Water SCHEMBL9707280 0.79 KDM4E (0.54) KCNA3HTR1BKDM4EALDH1A1HPGD
Water SCHEMBL21694712 0.79 HPGD (0.55) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL7295406 0.78 HTR1B (0.45) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL4371294 0.77 HPGD (0.56) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL11026673 0.77 HTR1B (0.55) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL6604458 0.77 KDM4E (0.56) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL8541531 0.77 HTR1B (0.55) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL1306417 0.77 HTR1B (0.55) KCNA3HTR1BKDM4EALDH1A1HPGD
Ethylene SCHEMBL3362752 0.75 HPGD (0.55) KCNA3HTR1BKDM4EALDH1A1HPGD

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 6 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-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US 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

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 KCNA3 3440/4885HTR1B 760/4885KDM4E 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.